SCHEMBL1859932

SCHEMBL1859932

COc1ccc(CCn2nccc2NC(=O)c2ccc(N3CCN(C)CC3)cc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ F10 P00742 13/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ KLKB1 P03952 1/20 0.44

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
SCHEMBL63115 0.78 NPC1 (0.52) NPC1RAB9AF10MEN1KMT2A
SCHEMBL1858385 0.74 MAPT (0.44) NPC1RAB9AF10KMT2AMAPT
SCHEMBL31254451 0.71 RAB9A (1.00) NPC1RAB9AF10MEN1KMT2A
SCHEMBL63340 0.68 NPC1 (0.52) NPC1RAB9AF10MEN1KMT2A
SCHEMBL4435852 0.68 KMT2A (0.43) MEN1KMT2AHPGDTAAR1POLB
SCHEMBL22495299 0.66 RAB9A (0.90) NPC1RAB9AF10MEN1KMT2A
SCHEMBL18737213 0.66 RAB9A (0.79) NPC1RAB9AF10MEN1KMT2A
SCHEMBL22495406 0.65 RAB9A (0.77) NPC1RAB9AF10MEN1KMT2A
SCHEMBL30863559 0.65 F10 (0.59) NPC1RAB9AF10POLBKLKB1
SCHEMBL62764 0.65 MAPT (0.51) NPC1RAB9AF10MAPTTSHR

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
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 — — EP disclosed
Send feedback