SCHEMBL14069850

SCHEMBL14069850

Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1Nc1nn(C)c2nc(N)ncc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 7/20 0.61
▸ CSF1R P07333 5/20 0.61
▸ EGFR P00533 4/20 0.59
▸ BRAF P15056 4/20 0.59
▸ ABL1 P00519 4/20 0.54
▸ LYN P07948 2/20 0.54
▸ BCR P11274 2/20 0.54
▸ BTK Q06187 1/20 0.52

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
SCHEMBL14069849 0.93 EGFR (0.61) KITEGFRBRAFBTK
SCHEMBL14070274 0.83 BRAF (0.57) CSF1RBRAFBTK
SCHEMBL14069588 0.79 BTK (0.67) KITCSF1REGFRBRAFABL1
SCHEMBL22025471 0.79 ABL1 (0.68) KITCSF1REGFRBRAFABL1
SCHEMBL4249619 0.78 KIT (0.63) KITCSF1REGFRBRAFABL1
SCHEMBL4699786 0.78 BRAF (0.63) KITCSF1REGFRBRAFABL1
SCHEMBL14070288 0.77 BTK (0.55) KITCSF1REGFRBRAFABL1
SCHEMBL4256157 0.77 KIT (0.64) KITCSF1REGFRBRAFABL1
SCHEMBL14070062 0.77 BTK (0.54) KITCSF1REGFRBRAFABL1
SCHEMBL3560129 0.76 ABL1 (0.86) KITBRAFABL1LYNBCR

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
Send feedback