SCHEMBL14070059

SCHEMBL14070059

Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1Nc1nn(C)c2nc(N)ncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.49
▸ LMNA P02545 4/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ BRAF P15056 12/20 0.46
▸ TEK Q02763 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ RAF1 P04049 6/20 0.43
▸ ESYT2 A0FGR8 1/20 0.43
▸ PLEKHG3 A1L390 1/20 0.43
▸ NBAS A2RRP1 1/20 0.43
▸ CNOT1 A5YKK6 1/20 0.43
▸ TBKBP1 A7MCY6 1/20 0.43
▸ MYO1G B0I1T2 1/20 0.43
▸ AGPS O00116 1/20 0.43
▸ MYO1F O00160 1/20 0.43
▸ SNAP23 O00161 1/20 0.43

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
SCHEMBL14070272 0.84 BTK (0.54) BTKLMNANPC1RAB9ABRAF
SCHEMBL14069588 0.84 BTK (0.67) BTKLMNABRAFTEKCSF1R
SCHEMBL14070273 0.83 BTK (0.52) BTKLMNABRAFCSF1RKIT
SCHEMBL14070075 0.82 BTK (0.49) BTKLMNANPC1RAB9ASMN1; SMN2
SCHEMBL14070288 0.82 BTK (0.55) BTKLMNABRAFTEKCSF1R
SCHEMBL14070061 0.82 KDR (0.52) BTKNPC1RAB9ABRAFCSF1R
SCHEMBL14070268 0.82 BTK (0.51) BTKNPC1RAB9ASMN1; SMN2BRAF
SCHEMBL14070274 0.81 BRAF (0.57) BTKBRAFCSF1RRAF1
SCHEMBL14069739 0.81 BTK (0.44) BTKSYKMAPKAPK2MAPK14
SCHEMBL4786461 0.78 BRAF (0.62) BTKBRAFCSF1RRAF1ABL1

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-2008112695-A2 PYRAZOLO [3,4-D] PYRIMIDINES AND 1, 2, 5, 6-TETRAAZA- AS- INDACENES AS PROTEIN KINASE INHIBITORS FOR CANCER TREATMENT IRM LLC (BM) 2008-09-18 — — WO disclosed
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