SCHEMBL29923616

SCHEMBL29923616

COc1cnc2cccc(Br)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.49
MTNR1A P48039 6/20 0.49
EGFR P00533 2/20 0.41
PDPK1 O15530 1/20 0.39
PDGFRA P16234 3/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
CDK7 P50613 1/20 0.38
IRAK1 P51617 1/20 0.38
NEK4 P51957 1/20 0.38
LIMK1 P53667 1/20 0.38
ACVR1 Q04771 1/20 0.38
TNK2 Q07912 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL425260 1.00 MTNR1B (0.49) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL27947745 0.81 MTNR1B (0.50) MTNR1BMTNR1APDPK1PDGFRARAB9A
SCHEMBL22766493 0.81 MTNR1B (0.50) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL3249749 0.79 MTNR1B (0.52) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL5265681 0.79 MTNR1B (0.51) MTNR1BMTNR1AMAP4K4NPC1RAB9A
SCHEMBL24916492 0.77 CYP1A1 (0.36) MTNR1BMTNR1AEGFRPDGFRAMAP4K4
SCHEMBL29923631 0.77 CYP1A1 (0.36) MTNR1BMTNR1AEGFRPDGFRAMAP4K4
SCHEMBL21783691 0.77 MTNR1B (0.51) MTNR1BMTNR1AEGFRPDGFRADYRK3
SCHEMBL21783731 0.77 MTNR1B (0.47) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL14400285 0.77 MTNR1B (0.64) MTNR1BMTNR1ANPC1RAB9AHTT

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed