SCHEMBL30587644

SCHEMBL30587644

NC(=O)c1ncc2ccc(C(F)(F)F)cn12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
RIPK1 Q13546 1/20 0.44
SSTR4 P31391 1/20 0.44
EIF2AK4 Q9P2K8 8/20 0.38
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
USP7 Q93009 1/20 0.35
PARP1 P09874 1/20 0.35
MAOB P27338 1/20 0.35
PTGS1 P23219 2/20 0.34
IKBKB O14920 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
SCHEMBL18376117 0.86 RIPK1 (0.45) KMT2ARIPK1SSTR4EIF2AK4KDM4E
SCHEMBL16158619 0.76 KDM4E (0.37) KMT2AKDM4ELMNARAB9APARP1
SCHEMBL18372677 0.72 SSTR4 (0.43) RIPK1SSTR4EIF2AK4KDM4ELMNA
SCHEMBL18366189 0.72 SSTR4 (0.40) KMT2ARIPK1SSTR4EIF2AK4KDM4E
SCHEMBL16255866 0.71 SSTR4 (0.50) KMT2ARIPK1SSTR4EIF2AK4KDM4E
SCHEMBL5768245 0.70 EIF2AK4 (0.47) KMT2AEIF2AK4
SCHEMBL31475516 0.69 KDM4E (0.41) KMT2AKDM4EPARP1
SCHEMBL20455586 0.69 KDM4E (0.47) KMT2ASSTR4KDM4ERAB9A
SCHEMBL16256102 0.66 SSTR4 (0.61) RIPK1SSTR4EIF2AK4LMNA
SCHEMBL1996711 0.65 KMT2A (1.00) KMT2AKDM4EABL1LMNAHTT

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed