SCHEMBL19902735

SCHEMBL19902735

CCc1cccnc1C(=N)Nc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
ATM Q13315 1/20 0.43
TRPV1 Q8NER1 1/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.39
ABCC9 O60706 1/20 0.39
KCNJ11 Q14654 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL19902741 0.84 KDM4E (0.52) TRPV1GAAKMT2AALDH1A1KDM4E
SCHEMBL19902747 0.80 ATM (0.46) EGLN1ATMTRPV1GAAKMT2A
SCHEMBL16491925 0.80 ATM (0.41) EGLN1ATMTRPV1GAAKMT2A
SCHEMBL19902740 0.75 GRM4 (0.46) KMT2AKDM4EMAPT
SCHEMBL16489218 0.72 ATM (0.46) EGLN1ATMGAAKMT2A
SCHEMBL18132543 0.68 KDM4E (0.57) EGLN1ATMTRPV1GAAKMT2A
SCHEMBL18132536 0.68 KDM4E (0.65) EGLN1ATMTRPV1GAAKMT2A
SCHEMBL25656256 0.68 KDM4E (0.43) GAAALDH1A1KDM4EALOX15LMNA
Hydrochloric Acid SCHEMBL29177044 0.67 KDM4E (0.42) ALDH1A1KDM4EALOX15LMNASMN1; SMN2
SCHEMBL28143802 0.67 F2 (0.48) KMT2ASAE1UBA2ALDH1A1KDM4E

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-3033337-B1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed