SCHEMBL18155030

SCHEMBL18155030

COc1ncc(Br)cc1-c1nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 4/20 0.42
ALK Q9UM73 8/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDK2 Q15119 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
RET P07949 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 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
SCHEMBL18155109 0.97 SUV39H2 (0.42) SUV39H2ALKPDK2
SCHEMBL20043813 0.91 ALK (0.42) SUV39H2ALKMAPTSMN1; SMN2PDK2
SCHEMBL20043814 0.88 SUV39H2 (0.42) SUV39H2ALKMAPTSMN1; SMN2PDK2
SCHEMBL18155113 0.85 RET (0.40) ALKMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18163933 0.85 GPR119 (0.38) RET
SCHEMBL20048365 0.85 SUV39H2 (0.43) SUV39H2
SCHEMBL18155094 0.83 ALK (0.48) SUV39H2ALKMAPTSMN1; SMN2ALDH1A1
SCHEMBL18155054 0.83 RET (0.43) MAPTSMN1; SMN2MEN1KMT2ARET
SCHEMBL21480677 0.82 ALK (0.46) ALKMAPTSMN1; SMN2MEN1TSHR
SCHEMBL18155114 0.81 RET (0.41) MAPTSMN1; SMN2MEN1KMT2ARET

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-3283475-B1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
EP-3283475-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES Merck Patent GmbH (DE) 2018-02-21 EP disclosed
WO-2016165808-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-20 WO disclosed
WO-2016165808-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-20 WO disclosed