SCHEMBL30477940

SCHEMBL30477940

COc1ncc(-c2cc(C3CC3)c(Cl)nn2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.37
▸ QPCTL Q9NXS2 1/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ MDM2 Q00987 14/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ TP53 P04637 6/20 0.34
▸ MDM4 O15151 3/20 0.34
▸ ACP1 P24666 1/20 0.34

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
SCHEMBL22869350 1.00 QPCT (0.37) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL29384847 0.95 MDM2 (0.36) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL22869370 0.95 MDM2 (0.36) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL29386867 0.95 HSD11B1 (0.36) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL22869358 0.95 HSD11B1 (0.36) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL22869347 0.88 QPCT (0.39) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL29386863 0.88 QPCT (0.39) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL22869344 0.88 HSD11B1 (0.35) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL25840251 0.88 HSD11B1 (0.35) QPCTQPCTLHSD11B1MDM2PPARD
SCHEMBL26527584 0.88 MDM2 (0.35) QPCTQPCTLHSD11B1MDM2TP53

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
CN-118005615-A Pyridazine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-05-10 — — CN disclosed
CN-111819173-B CD73 inhibitors 伊莱利利公司 2023-06-06 — — CN disclosed
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