SCHEMBL3847683

SCHEMBL3847683

O=C(O)c1ccc(-c2ncnc3ccc(Br)cc23)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
RXFP1 Q9HBX9 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PRNP P04156 3/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
ALK Q9UM73 1/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 1/20 0.38
MAPK10 P53779 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
SCHEMBL3852018 0.79 RAB9A (0.55) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL3847128 0.78 SMN1; SMN2 (0.44) SMN1; SMN2RXFP1MEN1KMT2APRNP
SCHEMBL3849285 0.77 SMN1; SMN2 (0.46) SMN1; SMN2RXFP1MEN1KMT2APRNP
SCHEMBL3848172 0.77 ACVR1 (0.46) RPS6KB2SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3845623 0.75 SMN1; SMN2 (0.44) SMN1; SMN2RXFP1MEN1KMT2APRNP
SCHEMBL3851528 0.75 SMN1; SMN2 (0.47) SMN1; SMN2RXFP1MEN1KMT2APRNP
SCHEMBL3846257 0.75 SMN1; SMN2 (0.46) SMN1; SMN2RXFP1MEN1KMT2APRNP
SCHEMBL3849639 0.73 MAPT (0.42) SMN1; SMN2RXFP1MEN1KMT2APRNP
SCHEMBL3846909 0.73 SMN1; SMN2 (0.41) SMN1; SMN2RXFP1MEN1KMT2APRNP
SCHEMBL21756436 0.72 KDM4E (0.53) SMN1; SMN2RXFP1MEN1KMT2APRNP

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
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed