SCHEMBL13838429

SCHEMBL13838429

C=N/C(=N\N(C)N)c1ccc(C(F)(F)F)c(-c2ccc(NC(=O)c3cnccc3C)nc2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLRK1 P26718 2/20 0.37
▸ MICA Q29983 2/20 0.37
▸ RAET1L Q5VY80 2/20 0.37
▸ F10 P00742 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ GPBAR1 Q8TDU6 4/20 0.36
▸ WNT3A P56704 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ NTRK1 P04629 3/20 0.34
▸ BRAF P15056 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ KIT P10721 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL13727744 0.75 CSNK1D (0.41) TRPV1WNT3AABCB1ABCC1NTRK1
SCHEMBL13838516 0.69 ABL1 (0.49) F10ABCB1ABCC1BRAFABL1
SCHEMBL13730219 0.68 ABL1 (0.43) ABCB1ABCC1ABL1
SCHEMBL19228843 0.67 ABL1 (0.42) F10ABCB1ABCC1ABL1KDR
SCHEMBL13838334 0.67 F10 (0.46) F10ABCB1ABCC1BRAFABL1
SCHEMBL18996622 0.66 RAB9A (0.47) TRPV1BRAF
SCHEMBL19228842 0.66 ABCB1 (0.39) F10ABCB1ABCC1
SCHEMBL16363154 0.65 S1PR1 (0.50) F10TRPV1GPBAR1BRAF
SCHEMBL13838607 0.65 ABL1 (0.41) ABCB1ABL1
SCHEMBL13838456 0.64 NPC1 (0.47) ABCB1ABCC1ABL1

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
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
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