SCHEMBL27714648

SCHEMBL27714648

CC(C)N(C)Cc1csc(NC(=O)Nc2ccc(CN)c(-c3ccoc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ KDR P35968 4/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ PLK4 O00444 2/20 0.36
▸ AURKA O14965 2/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ RPS6KA5 O75582 2/20 0.36
▸ PRKD3 O94806 2/20 0.36
▸ MAP4K4 O95819 2/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ INSR P06213 2/20 0.36
▸ LCK P06239 2/20 0.36
▸ FYN P06241 2/20 0.36
▸ CSF1R P07333 2/20 0.36
▸ LYN P07948 2/20 0.36
▸ MET P08581 2/20 0.36
▸ KIT P10721 2/20 0.36
▸ FGFR1 P11362 2/20 0.36

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
SCHEMBL5217108 0.89 FNTA (0.41) FNTAFNTBKDRAURKBPLK4
SCHEMBL5214990 0.86 MAPT (0.41) FNTAFNTBKDRAURKBMAPT
SCHEMBL5216518 0.84 CNR1 (0.48) KDRAURKBMAPTLMNASMN1; SMN2
SCHEMBL27714643 0.82 MAPT (0.43) KDRROCK1MAPTLMNASMN1; SMN2
SCHEMBL28768848 0.82 MAPT (0.39) KDRMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL27714640 0.82 MAPT (0.43) KDRMAPTLMNASMN1; SMN2TP53
SCHEMBL28769034 0.82 MAPT (0.39) KDRMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL5218551 0.80 MAPT (0.42) KDRMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL27714654 0.79 AVPR1B (0.38) KDRMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL5215826 0.76 MAPT (0.47) MAPTLMNASMN1; SMN2TP53SMARCA2

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-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN claimed
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN disclosed
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