SCHEMBL6996466

SCHEMBL6996466

c1ccc2c(c1)oc1c(-c3ccc(CNc4ccncc4)cc3)n[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
CSF1R P07333 1/20 0.61
PDGFRB P09619 1/20 0.61
MAPT P10636 1/20 0.61
KIT P10721 1/20 0.61
FLT3 P36888 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NAMPT P43490 1/20 0.43
LRRK2 Q5S007 2/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 1/20 0.39
HDAC1 Q13547 2/20 0.39
BCHE P06276 1/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL2550165 0.77 CSF1R (1.00) KMT2AMEN1CSF1RPDGFRBMAPT
SCHEMBL29634435 0.77 CSF1R (1.00) KMT2AMEN1CSF1RPDGFRBMAPT
SCHEMBL7889987 0.76 NAMPT (0.41) NAMPTLRRK2F2PRSS1HDAC1
SCHEMBL7096045 0.75 LRRK2 (0.43) FLT3NAMPTLRRK2F2PRSS1
SCHEMBL19241982 0.69 F2 (0.56) MAPTF2PRSS1HDAC1KDM4E
SCHEMBL19242051 0.67 F2 (0.61) MAPTF2PRSS1HDAC1KDM4E
SCHEMBL7093050 0.67 CCNE1 (0.55) NAMPTLRRK2F2PRSS1ROCK2
SCHEMBL6493932 0.66 ADRA2C (0.55) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL6491860 0.66 KDM4E (0.49) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL2126955 0.66 F2 (0.70) KMT2AMEN1F2PRSS1HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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