SCHEMBL31326712

SCHEMBL31326712

Cc1ccc2nc(N3CCOCC3)c(C#N)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ POLB P06746 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KHK P50053 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CLK1 P49759 1/20 0.46

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
SCHEMBL31326609 0.90 ALDH1A1 (0.46) KMT2APOLBMAPK1ALDH1A1HPGD
SCHEMBL31184383 0.83 POLB (0.70) KMT2APOLBALDH1A1HPGDMAPT
SCHEMBL31326690 0.81 MTOR (0.44) ALDH1A1KDM4E
SCHEMBL31326660 0.81 LRRK2 (0.43) KMT2APOLBALDH1A1HPGDMEN1
SCHEMBL31326705 0.80 KDM4E (0.37) KMT2APOLBMAPK1ALDH1A1HPGD
SCHEMBL31326704 0.78 ALDH1A1 (0.42) KMT2APOLBALDH1A1HPGDMEN1
SCHEMBL30762357 0.77 ALDH1A1 (0.52) KMT2APOLBMAPK1ALDH1A1HPGD
SCHEMBL2347506 0.76 CTSK (0.54) POLBMAPK1ALDH1A1HPGDKHK
SCHEMBL9334039 0.76 NQO2 (0.57) KMT2APOLBALDH1A1HPGDMEN1
SCHEMBL31326702 0.76 ALDH1A1 (0.39) KMT2APOLBMAPK1ALDH1A1HPGD

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
EP-4709714-A1 SUBSTITUTED QUINOXALINES Mirati Therapeutics, Inc. (US) 2026-03-18 — — EP disclosed
WO-2024238221-A1 SUBSTITUTED QUINOXALINES Mirati Therapeutics, Inc. (US) 2024-11-21 — — WO disclosed
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