Sugi Predict

Sugi Predict / Compounds / SCHEMBL15752575

SCHEMBL15752575

SCHEMBL15752575

C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccccc4)nc32)c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.78
▸ FLT3 P36888 13/20 0.78
▸ BLK P51451 11/20 0.78
▸ CDK4 P11802 1/20 0.67
▸ CCND1 P24385 1/20 0.67
▸ CCND2 P30279 1/20 0.67
▸ CCND3 P30281 1/20 0.67
▸ BTK Q06187 6/20 0.67
▸ ITK Q08881 3/20 0.59

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
SCHEMBL15752456 0.93 EGFR (0.67) EGFRFLT3BLKCDK4CCND1
SCHEMBL15752413 0.93 EGFR (0.67) EGFRFLT3BLKCDK4CCND1
SCHEMBL15752327 0.92 EGFR (0.66) EGFRFLT3BLKCDK4CCND1
SCHEMBL15752372 0.91 EGFR (0.65) EGFRFLT3BLKBTKITK
SCHEMBL15752541 0.91 EGFR (0.65) EGFRFLT3BLKCDK4CCND1
SCHEMBL15752331 0.90 EGFR (0.64) EGFRFLT3BLKCDK4CCND1
SCHEMBL15752571 0.90 EGFR (0.63) EGFRFLT3BLKBTKITK
SCHEMBL15752481 0.90 EGFR (0.64) EGFRFLT3BLKCDK4CCND1
SCHEMBL15752488 0.90 EGFR (0.66) EGFRFLT3BLKCDK4CCND1
SCHEMBL15752598 0.90 EGFR (0.66) EGFRFLT3BLKBTK

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
WO-2014079232-A1 7-OXO-PYRIDOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院广州生物医药与健康研究院 (CN) 2014-05-30 — — WO disclosed
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