SCHEMBL20125258

SCHEMBL20125258

O=Cc1ccnc2cc(C3CC3)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 7/20 0.59
KDM5A P29375 6/20 0.59
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
YTHDF2 Q9Y5A9 2/20 0.34
YTHDF3 Q7Z739 1/20 0.34
YTHDF1 Q9BYJ9 1/20 0.34
KDM4C Q9H3R0 7/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPY5R Q15761 1/20 0.32
KDM4A O75164 3/20 0.31
PDK2 Q15119 1/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL20125337 0.94 KDM5B (0.61) KDM5BKDM5ACCR1CCR5CCR8
SCHEMBL15652643 0.76 IKBKB (0.46) CCR1CCR5CCR8IKBKBCHUK
SCHEMBL16157369 0.75 KDM5B (1.00) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125267 0.72 KDM5B (0.65) KDM5BKDM5AKDM4CNPY5RKDM4A
SCHEMBL30430250 0.71 KDM5A (0.38) KDM5BKDM5AYTHDF2YTHDF3YTHDF1
SCHEMBL20125363 0.71 KDM5B (0.60) KDM5BKDM5AKDM4CKDM4A
SCHEMBL16149862 0.71 KDM5A (0.71) KDM5BKDM5AKDM4CKDM4APDK2
SCHEMBL21204922 0.70 KDM5A (0.32) KDM5BKDM5A
SCHEMBL16150053 0.70 KDM5B (1.00) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125330 0.69 KDM5B (0.62) KDM5BKDM5ACCR1CCR5CCR8

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-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed