SCHEMBL19015609

SCHEMBL19015609

CC(OC1CCCCO1)c1nc2cnc(Cl)cc2n1C(C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.37
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ P2RX3 P56373 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL17438247 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL15742165 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL15749429 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL15749857 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL17438860 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL15749054 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL17103728 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL15742167 1.00 EGFR (0.37) EGFRCCNT1CDK9P2RX3BRD4
SCHEMBL15749050 0.83 CDK4 (0.39) EGFRP2RX3L3MBTL1KDM4C
SCHEMBL15741987 0.83 CDK4 (0.39) EGFRP2RX3L3MBTL1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 — — EP disclosed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 — — EP disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 — — EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 — — EP disclosed
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