SCHEMBL14070075

SCHEMBL14070075

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.49
▸ BRAF P15056 11/20 0.47
▸ MAPK14 Q16539 3/20 0.43
▸ LCK P06239 2/20 0.43
▸ INSR P06213 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ HCK P08631 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RAF1 P04049 1/20 0.41

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
SCHEMBL14070262 0.89 BRAF (0.59) BTKBRAFLCKINSRLYN
SCHEMBL14070219 0.87 BTK (0.56) BTKBRAFLCKINSRLYN
SCHEMBL14070189 0.87 BTK (0.65) BTKBRAFMAPK14LCKINSR
SCHEMBL14069750 0.87 BTK (0.53) BTKBRAFLCKINSRLYN
SCHEMBL14070065 0.86 BRAF (0.60) BTKBRAFLCKINSRLYN
SCHEMBL14069575 0.86 BTK (0.48) BTKBRAFMAPK14LCKINSR
SCHEMBL14069748 0.86 BTK (0.47) BTKBRAFMAPK14LCKINSR
SCHEMBL14070266 0.86 BTK (0.47) BTKBRAFMAPK14LCKINSR
SCHEMBL14070270 0.85 KDM4E (0.46) BTKBRAFLCKINSRLYN
SCHEMBL14070291 0.85 BTK (0.44) BTKBRAFMAPK14LCKINSR

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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