SCHEMBL6992686

SCHEMBL6992686

c1ccc2c(c1)sc1c(-c3ccc(CNCCCn4ccnc4)cc3)n[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
QPCT Q16769 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SOD1 P00441 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ILK Q13418 1/20 0.40
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
NAMPT P43490 3/20 0.39
TSHR P16473 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP19A1 P11511 1/20 0.38
CACNA1B Q00975 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7003516 0.99 AKT1 (0.45) AKT1AKT2QPCTSMN1; SMN2SOD1
SCHEMBL7094646 0.80 NAMPT (0.42) SMN1; SMN2MEN1KMT2ANAMPT
SCHEMBL7094936 0.79 TMEM97 (0.38) MEN1KMT2AILKTSHR
SCHEMBL7889978 0.78 CHEK1 (0.36) KMT2A
SCHEMBL7096228 0.77 DNM2 (0.36) KMT2A
SCHEMBL6998526 0.76 PARP1 (0.47) MEN1KMT2AILKTSHR
Hydrochloric Acid SCHEMBL7006248 0.75 PARP1 (0.46) MEN1KMT2AILKTSHR
SCHEMBL7096045 0.75 LRRK2 (0.43) AKT1NAMPT
SCHEMBL3181153 0.74 SMN1; SMN2 (0.57) AKT1AKT2QPCTSMN1; SMN2SOD1
SCHEMBL7094580 0.73 RAB9A (0.46) NAMPTGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165544-B1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GMBH (DE) 2003-08-06 EP claimed
EP-1268437-A1 INHIBITORS OF PROTEIN KINASES Knoll GmbH (DE) 2003-01-02 EP claimed
WO-2002030908-A1 INHIBITORS OF PROTEIN KINASES KNOLL GMBH (DE) 2002-04-18 WO claimed
US-6297238-B1 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-02 US claimed
EP-1165544-B1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GMBH (DE) 2003-08-06 EP disclosed
EP-1268437-A1 INHIBITORS OF PROTEIN KINASES Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2002030908-A1 INHIBITORS OF PROTEIN KINASES KNOLL GMBH (DE) 2002-04-18 WO disclosed
EP-1165544-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
US-6297238-B1 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed
WO-2000059901-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2000-10-12 WO disclosed