SCHEMBL18655226

SCHEMBL18655226

Nc1nccc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 12/20 0.43
▸ ATR Q13535 1/20 0.43
▸ KMO O15229 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ KDR P35968 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ CHRM4 P08173 1/20 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
SCHEMBL14896706 0.86 TGFBR1 (0.42) TGFBR1ATRKMO
SCHEMBL14897233 0.86 KMO (0.39) TGFBR1ATRKMOHDAC1MKNK1
SCHEMBL14896955 0.85 TGFBR1 (0.44) TGFBR1ATRKMO
SCHEMBL14897827 0.85 TGFBR1 (0.40) TGFBR1ATRKMOMKNK1CHRM4
SCHEMBL14896775 0.85 CHRNB2 (0.45) TGFBR1ATRKMO
SCHEMBL18654515 0.85 TGFBR1 (0.45) TGFBR1ATRKMOHDAC1MKNK1
SCHEMBL14897192 0.84 TGFBR1 (0.46) TGFBR1ATRKMOHDAC1CHRM4
SCHEMBL14896826 0.84 TGFBR1 (0.56) TGFBR1
SCHEMBL14897200 0.84 TSHR (0.43) TGFBR1ATRKMOCDK2
SCHEMBL14897297 0.84 CYP1A2 (0.42) TGFBR1ATRKMOMKNK1CHRM4

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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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