SCHEMBL15870550

SCHEMBL15870550

CC(C)[C@H](CO)Nc1cncc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.39
▸ CCNA2 P20248 6/20 0.36
▸ CDK2 P24941 6/20 0.36
▸ CDK5 Q00535 6/20 0.36
▸ DYRK1A Q13627 6/20 0.36
▸ CDK5R1 Q15078 6/20 0.36
▸ CCNA1 P78396 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TRPV3 Q8NET8 2/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ DYRK3 O43781 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33

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
SCHEMBL19882521 0.78 CSF1R (0.41) CSF1RKDM4EMAPTMAPK1MEN1
SCHEMBL15864774 0.77 FYN (0.42) CSF1RCCNA2CDK2CDK5DYRK1A
SCHEMBL1558215 0.77 CSF1R (0.41) CSF1RKDM4EMAPTMAPK1MEN1
SCHEMBL14780159 0.76 CSF1R (0.32) CSF1RKDM4EMAPTMAPK1MEN1
SCHEMBL14853695 0.73 FPR2 (0.43) CSF1RKDM4EMAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL16145403 0.72 FPR2 (0.42) CSF1RKDM4EMAPTMAPK1MEN1
SCHEMBL15797990 0.72 CCNC (0.55) CSF1RKMT2ACCNT1CDK9
SCHEMBL15797988 0.72 CCNC (0.55) CSF1RKMT2ACCNT1CDK9
SCHEMBL15870503 0.71 TRPV3 (0.47) CCNA2CDK2CDK5DYRK1ACDK5R1
SCHEMBL15870516 0.70 TRPV3 (0.48) TRPV3CDK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014106606-A1 NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-07-10 — — WO disclosed
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