SCHEMBL21940577

SCHEMBL21940577

Cc1c(CN)nnc(-c2cn(C)nc2C(F)(F)F)c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ S1PR2 O95136 12/20 0.37
▸ MBOAT4 Q96T53 2/20 0.34
▸ CDK2 P24941 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CCNA1 P78396 1/20 0.33

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
SCHEMBL20606921 0.77 S1PR2 (0.49) PRMT5WDR77CYP2C19CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL20606941 0.76 S1PR2 (0.48) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL21940479 0.76 CYP2C19 (0.41) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL21941072 0.72 S1PR2 (0.41) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL21940289 0.72 PRMT5 (0.40) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL29243355 0.71 PRMT5 (0.40) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL21819818 0.70 PRMT5 (0.39) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL21940575 0.70 S1PR2 (0.39) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL20606830 0.68 CYP2C19 (0.43) PRMT5WDR77CYP2C19CYP3A4CYP1A2
SCHEMBL21940515 0.68 S1PR2 (0.55) PRMT5WDR77CYP2C19CYP3A4CYP1A2

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
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 — — EP disclosed
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