SCHEMBL8641

SCHEMBL8641

Cc1c(F)ccc2cc(C(C)N)c(N3CCN(c4cnccn4)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
OPRK1 P41145 7/20 0.37
DPP4 P27487 1/20 0.36
MAPT P10636 2/20 0.36
ACHE P22303 2/20 0.36
SORD Q00796 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
POLB P06746 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
SCHEMBL14481065 1.00 KDM4E (0.40) KDM4EALDH1A1PKMOPRK1DPP4
SCHEMBL8783 0.87 ALDH1A1 (0.45) KDM4EALDH1A1OPRK1DPP4MAPT
SCHEMBL14481040 0.87 ALDH1A1 (0.45) KDM4EALDH1A1OPRK1DPP4MAPT
SCHEMBL11378 0.85 KDM4E (0.39) KDM4EALDH1A1PKMOPRK1MAPT
SCHEMBL7494 0.82 KDM4E (0.44) KDM4EALDH1A1PKMOPRK1DPP4
Hydrochloric Acid SCHEMBL721449 0.81 OPRK1 (0.40) KDM4EALDH1A1PKMOPRK1MAPT
SCHEMBL2115241 0.79 KDM4E (0.35) KDM4EALDH1A1PKMOPRK1DPP4
SCHEMBL2115242 0.79 KDM4E (0.35) KDM4EALDH1A1PKMOPRK1DPP4
SCHEMBL14481137 0.79 PIK3CD (0.38) KDM4EALDH1A1PKMOPRK1MAPT
SCHEMBL14481136 0.79 PIK3CD (0.38) KDM4EALDH1A1PKMOPRK1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed