SCHEMBL16587312

SCHEMBL16587312

CCN1CCN(Cc2ccc(NC(=O)NC(C)C)cc2C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.64
▸ KDR P35968 4/20 0.64
▸ MKNK2 Q9HBH9 7/20 0.57
▸ MKNK1 Q9BUB5 6/20 0.57
▸ ABL1 P00519 5/20 0.57
▸ BCR P11274 4/20 0.57
▸ CDK8 P49336 3/20 0.57
▸ SRC P12931 2/20 0.57
▸ CSF1R P07333 2/20 0.57
▸ PDGFRB P09619 2/20 0.57
▸ FLT3 P36888 2/20 0.57
▸ CLK1 P49759 2/20 0.57
▸ KIT P10721 2/20 0.57
▸ STK25 O00506 1/20 0.57
▸ CIT O14578 1/20 0.57
▸ MAP2K7 O14733 1/20 0.57
▸ IKBKB O14920 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ GAK O14976 1/20 0.57
▸ CHUK O15111 1/20 0.57

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
SCHEMBL21479383 0.91 SRC (0.65) RETKDRABL1CDK8SRC
SCHEMBL16587846 0.88 RET (0.68) RETKDRMKNK2MKNK1ABL1
SCHEMBL12516824 0.88 RET (0.62) RETKDRMKNK2MKNK1ABL1
SCHEMBL14704589 0.85 MKNK2 (0.65) RETKDRMKNK2MKNK1ABL1
SCHEMBL27088109 0.85 RET (0.64) RETKDRMKNK2MKNK1ABL1
SCHEMBL17208644 0.85 RET (0.64) RETKDRMKNK2MKNK1ABL1
SCHEMBL14704625 0.85 RET (0.59) RETKDRMKNK2MKNK1ABL1
SCHEMBL16380144 0.84 RET (0.63) RETKDRMKNK2MKNK1ABL1
SCHEMBL3182950 0.84 RET (0.63) RETKDRMKNK2MKNK1ABL1
SCHEMBL15785403 0.84 MKNK2 (0.65) RETKDRMKNK2MKNK1ABL1

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
US-8987275-B2 Indazole compounds and their uses DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-03-24 — — US disclosed
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