SCHEMBL21893445

SCHEMBL21893445

CC(C)(C)c1cnn2cc(Cc3nn4cccnc4c3C(C)(C)C)cnc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.33
AXL P30530 1/20 0.33
CDK2 P24941 1/20 0.31
JAK1 P23458 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 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
SCHEMBL21849000 0.79 SMPD3 (0.33) SMPD3AXLCDK2
SCHEMBL803428 0.75 SMPD3 (0.55) SMPD3AXLCDK2JAK1PIK3C3
SCHEMBL21849007 0.70 SSTR4 (0.33)
SCHEMBL3711979 0.66 SMPD3 (0.43) SMPD3AXLKCNQ3KCNQ2
SCHEMBL26032356 0.65 PDE10A (0.31)
SCHEMBL14752169 0.65 PIK3CG (0.42) SMPD3AXLCDK2KCNQ3KCNQ2
SCHEMBL15306539 0.65 PIK3CG (0.54) SMPD3AXLCDK2KCNQ3KCNQ2
SCHEMBL19863991 0.64 SMPD3 (0.49) SMPD3AXLCDK2JAK1PIK3C3
SCHEMBL15306541 0.63 PDE2A (0.39)
SCHEMBL29297307 0.63 FLT1 (0.30)

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