SCHEMBL31326660

SCHEMBL31326660

CC[C@H]1CN(c2nc3ccc(C)cc3nc2C#N)CCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.43
▸ CHEK1 O14757 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 2/20 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
SCHEMBL31326705 0.82 KDM4E (0.37) KDM4EALDH1A1HPGDTSHRTP53
SCHEMBL31326712 0.81 KMT2A (0.49) KDM4EALDH1A1HPGDTSHRTP53
SCHEMBL31326704 0.73 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTSHRTP53
SCHEMBL31326609 0.71 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTSHRTP53
SCHEMBL31326690 0.70 MTOR (0.44) LRRK2CHEK1KDM4EALDH1A1HSD17B10
SCHEMBL9334039 0.69 NQO2 (0.57) KDM4EALDH1A1HPGDTSHRTP53
SCHEMBL31326702 0.68 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTSHRTP53
SCHEMBL24312598 0.68 NPC1 (0.42) LRRK2KDM4EALDH1A1TP53MAPT
SCHEMBL24454253 0.67 GRIN2D (0.43) LRRK2
SCHEMBL31184383 0.65 POLB (0.70) KDM4EALDH1A1HPGDTSHRMAPT

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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