SCHEMBL2497264

SCHEMBL2497264

Cc1cccc(N(C(=O)Nc2cccnc2)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
BRAF P15056 2/20 0.49
NAMPT P43490 4/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
CSF1R P07333 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5135347 0.90 KMT2A (0.50) HPGDPKMBRAFALDH1A1HTT
SCHEMBL27916737 0.85 TAAR1 (0.61) NPC1RAB9APKMBRAFNAMPT
SCHEMBL9547528 0.82 KMT2A (0.61) HPGDPKMALDH1A1GAASMN1; SMN2
SCHEMBL3429605 0.81 NPC1 (0.56) HPGDNPC1RAB9APKMNAMPT
SCHEMBL27710911 0.78 NPC1 (0.59) NPC1RAB9APKMNAMPTALDH1A1
SCHEMBL28251299 0.78 HPGD (0.51) HPGDPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL27967057 0.77 TAAR1 (0.61) HPGDNPC1RAB9APKMBRAF
SCHEMBL27967054 0.77 TAAR1 (0.54) HPGDNPC1RAB9APKMBRAF
SCHEMBL9192069 0.76 KMT2A (0.72) NPC1RAB9APKMBRAFALDH1A1
SCHEMBL16557564 0.76 RAB9A (0.71) HPGDNPC1RAB9AALDH1A1HTT

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-2373662-A2 THIENO[3,2-C]PYRIDINE DERIVATIVES AS KINASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER Abbott Laboratories (US) 2011-10-12 EP disclosed
WO-2010065825-A2 KINASE INHIBITORS WITH IMPROVED CYP SAFETY PROFILE ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed