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SCHEMBL4593134

SCHEMBL4593134

CSc1nc(O)cc(-c2cc(F)c(F)c(C)c2F)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL4593579 0.82 REN (0.36) ALDH1A1CYP1A2GAACYP2C9CYP2C19
SCHEMBL537673 0.69 MAPK1 (0.42) ALDH1A1GAAMAPK1
SCHEMBL29352953 0.67 MAPK1 (0.41) ALDH1A1GAAMAPK1
SCHEMBL10389212 0.67 MAPK1 (0.41) ALDH1A1GAAMAPK1
SCHEMBL28715240 0.67 MAPK1 (0.41) ALDH1A1GAAMAPK1
SCHEMBL10389241 0.67 MAPK1 (0.41) ALDH1A1GAAMAPK1
SCHEMBL1598214 0.66 KMT2A (0.49) ALDH1A1GAAMAPK1
SCHEMBL7525473 0.65 MAPT (0.51) ALDH1A1MAPK1
SCHEMBL6645825 0.61 HSP90AB1 (0.44) ALDH1A1
SCHEMBL163966 0.61 HSP90AB1 (0.39) ALDH1A1GAACYP2C19MAPK1

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-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 — — EP disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 — — WO disclosed