SCHEMBL7095837

SCHEMBL7095837

Cc1ccc(-c2n[nH]c3c2sc2ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.37
ADORA2A P29274 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TTK P33981 1/20 0.37
MAPK10 P53779 1/20 0.37
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL7000848 0.88 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2TNKS
SCHEMBL7090318 0.85 CSF1R (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7094698 0.85 PDPK1 (0.43) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL7096389 0.85 MAPT (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7698784 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL6994774 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL20035103 0.80 HTR2B (0.42) MEN1KMT2AALDH1A1SMN1; SMN2TNKS
SCHEMBL7091161 0.80 MAP2K4 (0.45) ALDH1A1MAPK1KDM4EPOLBMAP2K4
SCHEMBL7096396 0.78 CDC7 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7886097 0.78 NOS2 (0.52) MEN1KMT2ASMN1; SMN2RAB9APOLB

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