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Sugi Predict / Compounds / SCHEMBL6826415

SCHEMBL6826415

SCHEMBL6826415

NC(=O)c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 20/20 1.00
▸ CYP3A4 P08684 10/20 0.81
▸ ABCB1 P08183 2/20 0.68
▸ ABCG2 Q9UNQ0 1/20 0.54

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
SCHEMBL6918220 0.92 ABCC1 (0.86) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6827154 0.89 ABCC1 (1.00) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6920584 0.87 ABCC1 (0.77) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6826593 0.87 ABCC1 (0.77) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6919257 0.85 ABCC1 (0.74) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6826699 0.85 ABCC1 (0.81) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6923725 0.85 ABCC1 (0.75) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6828902 0.84 ABCC1 (1.00) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6923424 0.84 ABCC1 (0.81) ABCC1CYP3A4ABCB1ABCG2
SCHEMBL6826366 0.83 ABCC1 (1.00) ABCC1CYP3A4ABCB1ABCG2

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
WO-2004111052-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) XENOVA LIMITED (GB) 2004-12-23 — — WO claimed
WO-2004111052-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) XENOVA LIMITED (GB) 2004-12-23 — — WO disclosed