SCHEMBL20627759

SCHEMBL20627759

CNc1ccc(-n2cnc3cc(OCCN4CCCCCC4)ccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.66
▸ FLT3 P36888 1/20 0.66
▸ KDR P35968 3/20 0.63
▸ FGFR1 P11362 11/20 0.60
▸ SRC P12931 7/20 0.60
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ HSF1 Q00613 1/20 0.46
▸ MAPK14 Q16539 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 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
SCHEMBL20627046 0.87 NTRK1 (0.63) NTRK1FLT3KDRFGFR1SRC
SCHEMBL20627653 0.82 FGFR1 (0.71) FGFR1SRCALDH1A1HPGD
SCHEMBL19350885 0.82 FGFR1 (0.57) FGFR1SRCALDH1A1HPGD
SCHEMBL19350947 0.82 FGFR1 (0.61) NTRK1FLT3FGFR1SRCALDH1A1
SCHEMBL20627783 0.80 FGFR1 (0.68) FGFR1SRCALDH1A1HPGD
SCHEMBL20627506 0.80 FLT3 (0.55) NTRK1FLT3KDRFGFR1SRC
SCHEMBL20627772 0.80 FLT3 (0.55) NTRK1FLT3KDRFGFR1SRC
SCHEMBL23742244 0.79 PSMB1 (0.69) HRH3
SCHEMBL29623418 0.78 FLT3 (0.63) NTRK1FLT3KDRCDK2MAPK14
SCHEMBL19350961 0.78 FLT3 (0.63) NTRK1FLT3KDRCDK2MAPK14

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
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