SCHEMBL27994775

SCHEMBL27994775

Cc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.79
▸ SIGMAR1 Q99720 1/20 0.65
▸ HRH3 Q9Y5N1 1/20 0.61

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
SCHEMBL27995023 0.79 — —
Hydrochloric Acid SCHEMBL7901429 0.79 KCNH2 (0.63) KCNH2
SCHEMBL27994773 0.79 — —
Hydrochloric Acid SCHEMBL9013554 0.78 — —
Hydrochloric Acid SCHEMBL7899758 0.76 KCNH2 (0.58) KCNH2HRH3
SCHEMBL27995025 0.74 — —
SCHEMBL27994779 0.73 — —
SCHEMBL27994782 0.73 — —
Hydrochloric Acid SCHEMBL9013623 0.72 — —
SCHEMBL27994784 0.71 — —

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-104211645-A Pyrimidine derivatives and application thereof WUHAN JIAYU SCIENCE & TECHNOLOGY CO LTD 2014-12-17 — — CN claimed
CN-104211645-A Pyrimidine derivatives and application thereof WUHAN JIAYU SCIENCE & TECHNOLOGY CO LTD 2014-12-17 — — CN disclosed
Send feedback