SCHEMBL19492647

SCHEMBL19492647

Cc1nn2c(C(C)C)c(C(=O)CCC[C@H]3CCCc4ccccc43)cnc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ KDM5B Q9UGL1 2/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ SIGMAR1 Q99720 4/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TBXAS1 P24557 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
SCHEMBL19492642 0.95 PDE2A (0.34) KDM4CKDM5AKDM5B
SCHEMBL19492649 0.82 PDE2A (0.36) KDM4CKDM5AKDM5B
SCHEMBL19492758 0.81 MTNR1A (0.39) —
SCHEMBL19463266 0.80 TAS1R3 (0.52) —
SCHEMBL19463267 0.80 TAS1R3 (0.52) —
SCHEMBL19492483 0.79 MAPT (0.36) —
SCHEMBL20768127 0.76 PDE2A (0.55) —
SCHEMBL19463255 0.76 PDE2A (0.55) —
SCHEMBL19492794 0.72 KDM4C (0.32) KDM4C
SCHEMBL19492781 0.72 CHRM2 (0.37) —

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-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 — — EP disclosed
WO-2017178416-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2017-10-19 — — WO disclosed
Send feedback