SCHEMBL31060809

SCHEMBL31060809

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1CNc1cnc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.59
▸ EGFR P00533 10/20 0.59
▸ KIT P10721 2/20 0.57
▸ ABL1 P00519 6/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ LRRK2 Q5S007 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ BCR P11274 1/20 0.55

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
SCHEMBL15859828 1.00 BRAF (0.59) BRAFEGFRKITABL1FGFR1
SCHEMBL15859861 0.95 BRAF (0.60) BRAFEGFRKITABL1FGFR1
SCHEMBL15859803 0.94 BRAF (0.59) BRAFEGFRKITABL1FGFR1
SCHEMBL15859903 0.93 EGFR (0.60) BRAFEGFRKITABL1FGFR1
SCHEMBL17311263 0.92 BRAF (0.57) BRAFEGFRKITABL1FGFR1
SCHEMBL15859829 0.92 BRAF (0.57) BRAFEGFRKITABL1FGFR1
SCHEMBL15860017 0.91 BRAF (0.49) BRAFEGFRKITABL1FGFR1
SCHEMBL17311270 0.90 EGFR (0.55) BRAFEGFRKITABL1FGFR1
SCHEMBL15859831 0.90 BRAF (0.61) BRAFEGFRKITABL1FGFR1
SCHEMBL17311287 0.90 BRAF (0.54) BRAFEGFRKITABL1FGFR1

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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