SCHEMBL22240280

SCHEMBL22240280

C=Cc1ccc2c(n1)N(C(=C)Nc1ncccc1C)[C@H]1CCN2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ F13A1 P00488 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ TGM1 P22735 1/20 0.34
▸ TGM3 Q08188 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CDK5 Q00535 3/20 0.33
▸ CDK5R1 Q15078 3/20 0.33
▸ MALT1 Q9UDY8 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ SMO Q99835 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL22240218 0.84 FGFR4 (0.37) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL22239858 0.81 PHGDH (0.36) RAB9ANPC1KDM4EKMT2ALMNA
SCHEMBL22239951 0.73 HDAC6 (0.36) DYRK1A
SCHEMBL22240095 0.73 ACACB (0.30) —
SCHEMBL22239757 0.70 MEN1 (0.35) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL17618427 0.70 RAB9A (0.42) RAB9ANPC1MALT1TP53
SCHEMBL22239936 0.69 MEN1 (0.36) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL19713905 0.69 AXL (0.36) L3MBTL1KMT2A
SCHEMBL19713906 0.69 AXL (0.36) L3MBTL1KMT2A
SCHEMBL22239880 0.68 — —

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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