SCHEMBL22791384

SCHEMBL22791384

CCn1nc(C(N)=O)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CFD P00746 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ FSCN1 Q16658 1/20 0.34
▸ NPY5R Q15761 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
SCHEMBL22776540 0.90 PTGER4 (0.42) PTGER4KDM4EALDH1A1PTGDR2SRD5A2
SCHEMBL22791244 0.89 PTGER4 (0.36) PTGER4KDM4EALDH1A1SMN1; SMN2RPS6KB1
SCHEMBL22776444 0.87 PTGER4 (0.39) PTGER4MEN1KMT2AKDM4EPTGDR2
SCHEMBL22791390 0.84 KDM4E (0.35) PTGER4KDM4EALDH1A1SMN1; SMN2RPS6KB1
SCHEMBL22776589 0.79 PTGER4 (0.41) PTGER4PTGDR2SRD5A2NPY5R
SCHEMBL22791290 0.79 PTGDR2 (0.41) PTGER4PTGDR2
SCHEMBL22791289 0.79 PTGDR2 (0.41) PTGER4PTGDR2
SCHEMBL22791152 0.79 PTGDR2 (0.41) PTGER4PTGDR2
SCHEMBL29614425 0.78 PTGER4 (0.36) PTGER4PTGDR2NPY5R
SCHEMBL22791205 0.78 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2RPS6KB1AURKA

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
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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