SCHEMBL21941069

SCHEMBL21941069

Cn1cc(-c2nnc(CN)cc2N2CCOCC2)c(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ WDR5 P61964 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ S1PR2 O95136 10/20 0.35
▸ ATR Q13535 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34

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
SCHEMBL21940283 0.84 IDH1 (0.37) PRMT5WDR77CYP3A4CYP2C19S1PR2
SCHEMBL21940576 0.81 KDM4E (0.39) SOS1PIK3CDWDR5CYP3A4CYP2C19
SCHEMBL20606921 0.78 S1PR2 (0.49) PRMT5WDR77CYP3A4CYP2C19S1PR2
Hydrochloric Acid SCHEMBL20606941 0.77 S1PR2 (0.48) PRMT5WDR77CYP3A4CYP2C19S1PR2
SCHEMBL21819818 0.76 PRMT5 (0.39) PRMT5WDR77WDR5CYP3A4CYP2C19
SCHEMBL21940289 0.75 PRMT5 (0.40) PRMT5WDR77CYP3A4CYP2C19S1PR2
SCHEMBL21941072 0.75 S1PR2 (0.41) PRMT5WDR77CYP3A4CYP2C19S1PR2
SCHEMBL21940575 0.73 S1PR2 (0.39) PRMT5WDR77CYP3A4CYP2C19S1PR2
SCHEMBL21940476 0.68 S1PR2 (0.37) S1PR2LRRK2
SCHEMBL21940577 0.67 PRMT5 (0.45) PRMT5WDR77CYP3A4CYP2C19S1PR2

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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