SCHEMBL29965867

SCHEMBL29965867

Cn1nc(Nc2ccc(C(F)(F)F)nc2)c2ncn(CC(=O)NC3CCC(OC(F)F)CC3)c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.36
JAK2 O60674 5/20 0.36
JAK1 P23458 5/20 0.36
GRIN2B Q13224 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ABL1 P00519 1/20 0.34
ENPP2 Q13822 1/20 0.33
SCN9A Q15858 1/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 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
SCHEMBL24750382 1.00 EPHX2 (0.37) EPHX2LMNAJAK2JAK1GRIN2B
SCHEMBL24750658 1.00 EPHX2 (0.37) EPHX2LMNAJAK2JAK1GRIN2B
SCHEMBL24750376 0.90 CCR2 (0.38) LMNAKMT2ARXFP1ABL1ENPP2
SCHEMBL29965144 0.90 CCR2 (0.38) LMNAKMT2ARXFP1ABL1ENPP2
SCHEMBL24750365 0.90 CCR2 (0.38) LMNAKMT2ARXFP1ABL1ENPP2
SCHEMBL29966033 0.89 NPC1 (0.36) EPHX2LMNAJAK2JAK1GRIN2B
SCHEMBL24750377 0.89 NPC1 (0.36) EPHX2LMNAJAK2JAK1GRIN2B
SCHEMBL24750665 0.89 NPC1 (0.36) EPHX2LMNAJAK2JAK1GRIN2B
SCHEMBL24750372 0.85 EPHX2 (0.38) EPHX2LMNAGRIN2BNPC1RAB9A
SCHEMBL29965806 0.85 EPHX2 (0.38) EPHX2LMNAGRIN2BNPC1RAB9A

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
EP-4313988-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS Orphagen Pharmaceuticals, Inc. (US) 2024-02-07 EP disclosed
WO-2022204481-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS Orphagen Pharmaceuticals, Inc. (US) 2022-09-29 WO disclosed