SCHEMBL22476641

SCHEMBL22476641

C=C1C2=C(CCN(Cc3ccccc3)C2)N2CCN=C2N1Cc1ccccc1C

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 9/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ GPR132 Q9UNW8 2/20 0.79
▸ CYP2D6 P10635 1/20 0.79
▸ DRD2 P14416 1/20 0.79
▸ DRD3 P35462 1/20 0.79
▸ KCNH2 Q12809 1/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.74
▸ HIF1A Q16665 1/20 0.74
▸ HDAC1 Q13547 4/20 0.57
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ SOS1 Q07889 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL22065223 0.93 CYP3A4 (0.79) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL16227974 0.88 CLPP (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL29359574 0.88 CLPP (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL29414943 0.87 CLPP (0.98) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL31548590 0.87 CLPP (0.98) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL30085760 0.85 CYP3A4 (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL13559495 0.85 CYP3A4 (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL22064624 0.84 CLPP (0.57) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL20173633 0.83 CLPP (0.89) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL19222684 0.82 CLPP (0.88) CLPPCYP3A4GPR132CYP2D6DRD2

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-3805222-A2 7-BENZYL-4-(2-METHYLBENZYL)-2,4,6,7,8,9-HEXAHYDROIMIDAZO [1,2-A]PYRIDO[3,4-E]PYRIMIDIN-5(1H)-ONE DERIVATIVES, SALTS THEREOF AND THEIR USE IN THERAPY Oncoceutics, Inc. (US) 2021-04-14 — — EP disclosed
EP-3250208-B1 7-BENZYL-4-(4-(TRIFLUOROMETHYL)BENZYL)-1,2,6,7,8,9-HEXAHYDROIMIDAZO[1,2-A]PYRIDO[3,4-E]PYRIMIDIN-5(4H)-ONE AND SALTS THEREOF AND THEIR USE IN THERAPY ONCOCEUTICS INC (US) 2020-09-30 — — EP disclosed
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