SCHEMBL22236103

SCHEMBL22236103

COc1cncc(NC(=O)c2n[nH]cc2NCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.44
▸ DDR2 Q16832 1/20 0.44
▸ GSK3A P49840 1/20 0.43
▸ FLT1 P17948 4/20 0.42
▸ KDR P35968 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ VNN1 O95497 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL22235681 0.87 FLT3 (0.55) GAAMAPTMAPK1NPSR1FLT3
SCHEMBL22236040 0.86 FLT1 (0.42) FLT1KDRMAPTNPSR1AKT1
SCHEMBL22236104 0.82 RXFP1 (0.47) FLT1KDRMAPTNPSR1FLT3
SCHEMBL22236099 0.81 NAMPT (0.53) GAAMAPTNPSR1NPC1RAB9A
SCHEMBL22236222 0.77 RXFP1 (0.49) FLT1KDRMAPTMAPK1HIF1A
SCHEMBL22235634 0.76 RXFP1 (0.46) FLT1KDR
SCHEMBL22235674 0.76 KDR (0.51) DDR1DDR2KDRGAAMAPT
SCHEMBL22258286 0.75 MAPT (0.49) FLT1GAAMAPTMAPK1NPSR1
SCHEMBL22258491 0.74 RAB9A (0.37) FLT1KDRMAPTVNN1NPC1
SCHEMBL22792281 0.74 RAB9A (0.70) GSK3AGAANPC1HTTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
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