SCHEMBL18106971

SCHEMBL18106971

COc1ccc(Nc2cnc3[nH]c4c(c3c2)CN(OC(=O)OC(C)(C)C)CC4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CFTR P13569 6/20 0.38
BAZ2B Q9UIF8 2/20 0.38
DHFR P00374 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDR P35968 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
DYRK1A Q13627 1/20 0.33

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
SCHEMBL18106974 0.92 EP300 (0.43) CFTRBAZ2BKDRCYP1A2EP300
SCHEMBL18106969 0.91 PRKAA2 (0.35) MAPTCFTRBAZ2B
SCHEMBL18106970 0.86 MAPT (0.42) MAPTDHFRALDH1A1KDRTRPV1
SCHEMBL409364 0.86 MAPT (0.55) MAPTCFTRBAZ2BALDH1A1KDR
SCHEMBL407463 0.78 MKNK1 (0.55) MAPTCFTRBAZ2BKDREP300
SCHEMBL406798 0.77 MAPT (0.45) MAPTCFTRBAZ2BALDH1A1ALOX15
SCHEMBL18106979 0.76 TRPV1 (0.42) MAPTCFTRBAZ2BKDRTRPV1
SCHEMBL407207 0.72 MAPT (0.49) MAPTCFTRDHFRALDH1A1TRPV1
SCHEMBL18106977 0.71 LIMK2 (0.43) MAPTBAZ2BALDH1A1ALOX15EP300
SCHEMBL10139863 0.69 MAPT (0.56) MAPTCFTRBAZ2BALDH1A1KDR

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
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed