SCHEMBL7846966

SCHEMBL7846966

c1ncc2ccc(OCCC3CC3)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.55
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ MCHR1 Q99705 1/20 0.37
▸ NCF1 P14598 3/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ LNPEP Q9UIQ6 3/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL2488995 0.85 EGFR (0.58) EGFRHDAC1HDAC6HDAC5
SCHEMBL7689206 0.81 EGFR (0.47) EGFR
SCHEMBL2637564 0.78 EGFR (0.69) EGFRHDAC1HDAC6HDAC5NCF1
SCHEMBL29831918 0.78 EGFR (0.59) EGFRNCF1
SCHEMBL4649110 0.75 EGFR (0.70) EGFRHDAC1HDAC6HDAC5NCF1
SCHEMBL30504578 0.75 EGFR (0.70) EGFRHDAC1HDAC6HDAC5NCF1
SCHEMBL30791005 0.75 EGFR (0.52) EGFR
SCHEMBL18128963 0.75 EGFR (0.52) EGFR
SCHEMBL13837704 0.74 EGFR (0.73) EGFRHDAC1HDAC6HDAC5
SCHEMBL7574519 0.74 EGFR (0.55) EGFRHDAC1HDAC6HDAC5HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157011-A1 4-AMINO- QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES Boehringer Ingelheim Pharma KG (DE) 2001-11-28 — — EP disclosed
WO-2000051991-A1 4-AMINO-QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANsSDUCTION MEDIATED BY TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-08 — — WO disclosed
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