SCHEMBL20627495

SCHEMBL20627495

O=CNc1ccc(-n2cnc3cc(OCCN4CCOCC4)ccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 10/20 0.71
▸ SRC P12931 6/20 0.71
▸ NTRK1 P04629 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ KDR P35968 2/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ HSF1 Q00613 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ MET P08581 1/20 0.42

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
SCHEMBL20627046 0.90 NTRK1 (0.63) FGFR1SRCNTRK1FLT3KDR
SCHEMBL20604001 0.86 FGFR1 (0.73) FGFR1SRCNTRK1FLT3KDR
SCHEMBL19350877 0.84 FGFR1 (0.80) FGFR1SRCNTRK1FLT3KDR
SCHEMBL29623749 0.84 FGFR1 (0.80) FGFR1SRCNTRK1FLT3KDR
SCHEMBL7990149 0.84 FGFR1 (1.00) FGFR1SRCKDRRAB9AMCHR1
Hydrochloric Acid SCHEMBL7987479 0.83 FGFR1 (0.98) FGFR1SRCKDRRAB9ANPC1
SCHEMBL20603905 0.82 FGFR1 (0.73) FGFR1SRCNTRK1FLT3KDR
SCHEMBL19350876 0.81 FGFR1 (0.72) FGFR1SRCNTRK1FLT3KDR
SCHEMBL14368318 0.81 CA12 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20627764 0.79 FGFR1 (0.49) FGFR1SRCRAB9AALDH1A1NPC1

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-3424924-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-01-09 — — EP disclosed
Send feedback