SCHEMBL28564170

SCHEMBL28564170

CP(C)(=O)c1ccccc1Nc1nc(Nc2cnn(C3CCN(S(C)(=O)=O)CC3)c2)ncc1Cl

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.57
▸ PTK2 Q05397 9/20 0.56
▸ INSR P06213 3/20 0.56
▸ IGF1R P08069 3/20 0.56
▸ ALK Q9UM73 3/20 0.56
▸ CDK7 P50613 1/20 0.52
▸ CDK9 P50750 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
SCHEMBL28574074 0.87 PTK2 (0.72) EGFRPTK2INSRIGF1RALK
SCHEMBL28914473 0.85 EGFR (0.55) EGFRPTK2INSRIGF1RALK
SCHEMBL28575335 0.85 PTK2 (0.56) EGFRPTK2INSRIGF1RALK
SCHEMBL28569393 0.85 INSR (0.58) EGFRPTK2INSRIGF1RALK
SCHEMBL28914390 0.84 EGFR (0.56) EGFRPTK2INSRIGF1RALK
SCHEMBL28562993 0.84 PTK2 (0.62) EGFRPTK2INSRIGF1RALK
SCHEMBL28571162 0.82 EGFR (0.68) EGFRPTK2INSRIGF1RALK
SCHEMBL28587082 0.82 PTK2 (0.61) EGFRPTK2INSRIGF1RALK
SCHEMBL28563007 0.81 INSR (0.56) EGFRPTK2INSRIGF1RALK
SCHEMBL28566195 0.80 EGFR (0.57) EGFRPTK2INSRIGF1RALK

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
CN-112771032-A Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2021-05-07 — — CN disclosed
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