SCHEMBL17844394

SCHEMBL17844394

NC(=O)c1cc(N)cc(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
SRC P12931 1/20 0.37
HPGD P15428 6/20 0.36
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAP3K12 Q12852 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TRPC6 Q9Y210 3/20 0.34
EGFR P00533 1/20 0.33
TEC P42680 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
SCHEMBL22540920 0.85 LMNA (0.41) SRCPOLBLMNA
SCHEMBL17844407 0.82 AXL (0.45) SCDHPGDHSD17B10ALDH1A1POLB
SCHEMBL17837370 0.81 KDM4E (0.48) HPGDHSD17B10ALDH1A1KDM4ETSHR
SCHEMBL17844419 0.80 CNR2 (0.48) SCDEGFRTECBTKKDM5A
SCHEMBL18544575 0.76 POLB (0.44) SRCHPGDHSD17B10ALDH1A1POLB
SCHEMBL15971706 0.72 BTK (0.37) MAP3K12LMNATRPC6EGFRTEC
SCHEMBL15972152 0.72 HSD11B1 (0.36) HPGDHSD17B10ALDH1A1POLBBLM
SCHEMBL17844405 0.72 AXL (0.46)
SCHEMBL1493459 0.71 ALDH1A1 (0.35) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL4706092 0.71 SCD5 (0.34) SCDHPGDHSD17B10ALDH1A1KDM4E

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-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 EP disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed