SCHEMBL4592913

SCHEMBL4592913

CCOC(=O)n1nc(NC(=O)c2ccccc2NC(=O)c2cnoc2C)c2cc(C(=O)N(C)C(C)c3ccccc3)sc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 6/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CSF1R P07333 1/20 0.33
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 5/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1779174 0.88 RAB9A (0.39) RAB9ANPC1TSHRKDM4EMEN1
SCHEMBL4592688 0.88 KDM4E (0.44) RAB9ANPC1TSHRKDM4EMEN1
SCHEMBL1780244 0.85 HSD17B10 (0.38) RAB9ANPC1TSHRKDM4EMEN1
SCHEMBL1779652 0.82 RXFP1 (0.36) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL1777881 0.79 HSD17B10 (0.35) RAB9ANPC1TSHRKDM4EMEN1
SCHEMBL4592874 0.79 RAB9A (0.41) RAB9ANPC1KDM4ECSF1RALDH1A1
SCHEMBL1780614 0.76 RAF1 (0.42) CSF1R
SCHEMBL1779425 0.74 MAPK1 (0.46) RAB9ANPC1TSHRKDM4EMEN1
SCHEMBL1778607 0.74 ALDH1A1 (0.38) RAB9ANPC1TSHRKDM4EMEN1
SCHEMBL1778870 0.73 CSF1R (0.40) MEN1KMT2ACSF1RGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904503-A1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-04-02 EP disclosed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 WO disclosed