SCHEMBL29965268

SCHEMBL29965268

CCOC(OCC)c1cc2ccc(C#N)cc2n1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 4/20 0.39
▸ CDC7 O00311 7/20 0.36
▸ CDK2 P24941 4/20 0.36
▸ CCR9 P51686 2/20 0.36
▸ MAP3K14 Q99558 1/20 0.35
▸ ACSS2 Q9NR19 1/20 0.34
▸ BRD1 O95696 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ BRPF3 Q9ULD4 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL23458895 1.00 BRPF1 (0.39) BRPF1CDC7CDK2CCR9MAP3K14
SCHEMBL10022420 0.79 CDC7 (0.40) BRPF1CDC7CDK2CCR9MAP3K14
Ammonia Solution, Strong SCHEMBL28878686 0.78 MAPT (0.38) CCR9ACSS2
SCHEMBL31519262 0.76 CCR9 (0.41) CCR9
SCHEMBL29919361 0.76 CSNK2A1 (0.31) —
SCHEMBL23482077 0.76 CSNK2A1 (0.31) —
SCHEMBL4779693 0.73 S1PR1 (0.41) RORCCYP11B1CYP11B2
SCHEMBL28984342 0.73 TSHR (0.35) BRPF1CDC7CDK2CCR9
SCHEMBL10053928 0.71 CDC7 (0.47) BRPF1CDC7CDK2MAP3K14BRD1
SCHEMBL7503312 0.70 CCR9 (0.34) BRPF1CDC7CDK2CCR9ACSS2

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
CN-115151540-A Polyheterocyclic compounds as METTL3 inhibitors 风暴治疗有限公司 2022-10-04 — — CN disclosed
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