SCHEMBL4554523

SCHEMBL4554523

CN1CCCN(c2ccc(C(=O)O)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
DAO P14920 1/20 0.40
LMNA P02545 3/20 0.39
F10 P00742 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37
LIG1 P18858 1/20 0.37
PTGER1 P34995 1/20 0.36
NCF1 P14598 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4438126 0.94 DAO (0.44) DAOLMNAKMT2AMAPK1NPC1
SCHEMBL5226095 0.85 ALDH1A1 (0.46) DAOKMT2ARAB9APKMLIG1
SCHEMBL5228374 0.84 KMT2A (0.49) DAOKMT2ANPC1RAB9APKM
SCHEMBL63716 0.81 HDAC3 (0.44) CHKAKMT2AMAPK1RAB9AKDM4E
SCHEMBL24671588 0.80 LMNA (0.45) CHKALMNAKMT2AMAPK1NPC1
SCHEMBL4441335 0.77 CHRNA7 (0.45) DAOLMNAKMT2ANPC1RAB9A
SCHEMBL82260 0.76 CHKA (0.42) CHKALMNAKMT2APKMNCF1
SCHEMBL7826262 0.74 ALDH1A1 (0.49) LMNAKMT2ASMN1; SMN2POLBKDM4E
SCHEMBL64634 0.74 HDAC3 (0.48) LMNAKMT2AMAPK1KDM4EALDH1A1
SCHEMBL6274318 0.73 DAO (0.39) DAOKMT2ARAB9APKMLIG1

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-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed