SCHEMBL25714211

SCHEMBL25714211

Cc1ccc2c(c(N)nn2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ KDR P35968 5/20 0.35
▸ FLT3 P36888 4/20 0.35
▸ ABL1 P00519 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ LCK P06239 3/20 0.32
▸ CSF1R P07333 3/20 0.32

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
SCHEMBL19084436 0.77 MEN1 (0.32) ADORA2AADORA2BMAPK13MEN1KMT2A
SCHEMBL590272 0.77 KDR (0.43) NOS3NOS2KDRFLT3NOS1
SCHEMBL16158053 0.72 MAPT (0.36) NOS3NOS2KDRABL1SRC
SCHEMBL7850281 0.68 MEN1 (0.46) KDRFLT3LCKCSF1RKIT
SCHEMBL423714 0.68 PDPK1 (0.41) KDRFLT3ABL1GAALCK
SCHEMBL31280918 0.67 ALOX5AP (0.35) KDRFLT3ABL1SRCPIK3CD
SCHEMBL16006511 0.67 HTT (0.35) NOS3NOS2KDRABL1SRC
SCHEMBL15996052 0.67 PIK3CD (0.33) NOS3NOS2KDRABL1SRC
SCHEMBL17673728 0.67 NOS3 (0.30) NOS3NOS2NOS1
SCHEMBL15995815 0.66 KCNA5 (0.51) KDRFLT3GAALMNAMAPK13

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-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
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