SCHEMBL28357358

SCHEMBL28357358

O=C1CC(c2cccnc2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.42
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ LHCGR P22888 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL28361064 0.92 CSNK1D (0.36) GRM4CSNK1DCSNK1ELMNAGRIN2B
SCHEMBL17926277 0.90 GRM4 (0.43) GRM4LMNACYP3A4NAMPTLHCGR
SCHEMBL28361041 0.89 CSNK1D (0.36) GRM4CSNK1DCSNK1EGRIN2BNAMPT
SCHEMBL28361004 0.88 CSNK1D (0.35) GRM4CSNK1DCSNK1E
SCHEMBL28361300 0.84 CSNK1D (0.35) CSNK1DCSNK1E
SCHEMBL28361100 0.84 CSNK1D (0.35) GRM4CSNK1DCSNK1E
SCHEMBL28357355 0.84 CSNK1D (0.34) CSNK1DCSNK1E
SCHEMBL28361083 0.84 CSNK1D (0.34) CSNK1DCSNK1E
SCHEMBL28361088 0.84 HTR6 (0.33) GRM4LMNAGRIN2B
SCHEMBL28357374 0.83 CSNK1D (0.35) CSNK1DCSNK1E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110804061-B Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2021-01-05 — — CN claimed
CN-110804061-A Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2020-02-18 — — CN claimed
CN-110804061-B Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2021-01-05 — — CN disclosed
CN-110804061-A Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2020-02-18 — — CN disclosed
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