SCHEMBL21893423

SCHEMBL21893423

Nc1c(C(F)(F)F)cnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 5/20 0.47
▸ PRKCI P41743 3/20 0.41
▸ AXL P30530 2/20 0.41
▸ JAK1 P23458 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ TTBK1 Q5TCY1 2/20 0.38
▸ TTBK2 Q6IQ55 1/20 0.38
▸ NUDT1 P36639 2/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL21855819 0.79 PRKCI (0.41) ULK1PRKCIAXLJAK1JAK2
SCHEMBL1467223 0.79 PRKCI (0.57) ULK1PRKCIAXLJAK1JAK2
SCHEMBL18012903 0.79 PRKCI (0.49) ULK1PRKCIAXLJAK1JAK2
SCHEMBL30543159 0.79 PRKCI (0.57) ULK1PRKCIAXLJAK1JAK2
SCHEMBL24656163 0.77 PRKCI (0.42) ULK1PRKCIAXLJAK1JAK2
SCHEMBL24348505 0.77 NUDT1 (0.47) PRKCIAXLJAK2AURKAKDR
SCHEMBL22941208 0.76 PRKCI (0.47) PRKCIAXLJAK2AURKAKDR
SCHEMBL15331134 0.76 ULK1 (0.39) ULK1PRKCIAXLJAK1JAK2
SCHEMBL20371789 0.76 PRKCI (0.45) ULK1PRKCIAXLJAK1JAK2
SCHEMBL21677833 0.76 BRD4 (0.43) ULK1PRKCIAXLJAK1AURKA

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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