SCHEMBL29623342

SCHEMBL29623342

CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc4cc(OCCO)ccc43)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.53
▸ NTRK1 P04629 3/20 0.53
▸ CSF1R P07333 3/20 0.53
▸ KDR P35968 2/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ CCDC6 Q16204 1/20 0.53
▸ RAF1 P04049 7/20 0.52
▸ MAPK14 Q16539 3/20 0.52
▸ MAPK12 P53778 2/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ MAPK11 Q15759 1/20 0.52
▸ RIPK2 O43353 2/20 0.52
▸ FLT3 P36888 7/20 0.49
▸ PDGFRB P09619 2/20 0.49
▸ KIT P10721 2/20 0.49
▸ PDGFRA P16234 2/20 0.49
▸ BMPR1B O00238 1/20 0.49
▸ MUSK O15146 1/20 0.49
▸ EPHB6 O15197 1/20 0.49
▸ MAP3K7 O43318 1/20 0.49

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
SCHEMBL19350838 1.00 RET (0.53) RETNTRK1CSF1RKDRKCNH2
SCHEMBL29623371 0.95 RAF1 (0.49) RETNTRK1CSF1RKDRKCNH2
SCHEMBL19350792 0.95 RAF1 (0.49) RETNTRK1CSF1RKDRKCNH2
SCHEMBL19350734 0.92 RAF1 (0.56) RETNTRK1CSF1RKDRKCNH2
SCHEMBL29623308 0.92 RAF1 (0.56) RETNTRK1CSF1RKDRKCNH2
SCHEMBL29623214 0.91 RAF1 (0.54) RETNTRK1CSF1RKDRKCNH2
SCHEMBL19350789 0.91 RAF1 (0.54) RETNTRK1CSF1RKDRKCNH2
SCHEMBL19350889 0.91 RET (0.59) RETNTRK1CSF1RKDRKCNH2
SCHEMBL29360203 0.91 RAF1 (0.50) RETNTRK1CSF1RKDRKCNH2
SCHEMBL29623355 0.91 RET (0.59) RETNTRK1CSF1RKDRKCNH2

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
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 — — CN claimed
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 — — CN disclosed
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