SCHEMBL30623106

SCHEMBL30623106

COc1cnccc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 17/20 0.48
▸ KLKB1 P03952 16/20 0.48
▸ CYP3A4 P08684 4/20 0.47
▸ F2 P00734 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ METAP2 P50579 1/20 0.40

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
SCHEMBL30995013 0.85 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL30995055 0.85 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL30995028 0.85 F11 (0.47) F11KLKB1CYP3A4
SCHEMBL30995030 0.84 F11 (0.44) F11KLKB1CYP3A4F2F10
SCHEMBL30995047 0.84 F11 (0.44) F11KLKB1CYP3A4F2F10
SCHEMBL29697761 0.84 F11 (0.49) F11KLKB1CYP3A4F2F10
SCHEMBL21357595 0.84 F11 (0.49) F11KLKB1CYP3A4F2F10
SCHEMBL30590414 0.81 F11 (0.39) F11KLKB1CYP3A4F2F10
SCHEMBL21357414 0.78 F11 (0.51) F11KLKB1CYP3A4F2F10
SCHEMBL30995017 0.78 F11 (0.48) F11KLKB1CYP3A4F2F10

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
WO-2024131841-A1 NOVEL OXO-PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都施贝康生物医药科技有限公司 2024-06-27 — — WO disclosed
CN-111770917-B Process for the preparation of two compounds 拜耳股份公司 2023-09-26 — — CN disclosed
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