SCHEMBL29922936

SCHEMBL29922936

COC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc(N2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ DGAT1 O75907 11/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29922801 0.89 RAB9A (0.54) NPC1RAB9ADGAT1CNR2KCNQ3
SCHEMBL29922727 0.83 JAK2 (0.55) DGAT1KDM4EGAAMAPTLMNA
SCHEMBL29923134 0.81 TYK2 (0.56) NPC1RAB9ADGAT1CNR2KCNQ3
SCHEMBL28358972 0.81 TYK2 (0.56) NPC1RAB9ADGAT1CNR2KCNQ3
SCHEMBL29552247 0.81 TYK2 (0.56) NPC1RAB9ADGAT1CNR2KCNQ3
SCHEMBL29922709 0.76 KDR (0.41) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL29922857 0.75 MAPT (0.37) KDM4EGAAMAPTSMN1; SMN2
SCHEMBL29923095 0.73 JAK2 (0.66) —
SCHEMBL29922578 0.72 TYK2 (0.58) DGAT1CNR2
SCHEMBL16362450 0.72 JAK2 (0.56) NPC1RAB9ADGAT1CNR2KCNQ3

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-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
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