SCHEMBL21951135

SCHEMBL21951135

Ic1ccc2[nH]ncc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 7/20 0.48
▸ HSP90AA1 P07900 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ METAP2 P50579 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ DYRK1A Q13627 4/20 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
SCHEMBL1495350 0.74 KDM4E (0.48) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL29509974 0.74 NOS1 (0.48) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL10806951 0.74 NOS1 (0.48) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL460550 0.74 HSP90AA1 (0.40) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL503223 0.74 NOS1 (0.48) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL31414356 0.74 HSP90AA1 (0.40) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL8296672 0.74 RAB9A (0.41) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL22941283 0.74 HSP90AA1 (0.40) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL29626644 0.74 METAP2 (0.44) NOS1HSP90AA1IDO1CDK2MAPT
SCHEMBL13208472 0.74 TRPA1 (0.40) NOS1HSP90AA1IDO1CDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
EP-3333157-B1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS HARBIN ZHENBAO PHARMACEUTICAL CO LTD (CN) 2020-12-23 — — EP disclosed
WO-2020079652-A1 KINASE INHIBITORS Insilico Medicine Hong Kong Limited (CN) 2020-04-23 — — WO disclosed
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