SCHEMBL14980203

SCHEMBL14980203

COCC(C)NC(=NC#N)NCc1nonc1C(=N)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.31
EGFR P00533 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL15100374 0.91 SMN1; SMN2 (0.36) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL14442980 0.91 SMN1; SMN2 (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL14462379 0.89
SCHEMBL14964264 0.86 MAPK1 (0.30) MAPTMAPK1
SCHEMBL14964262 0.86 MAPK1 (0.30) MAPTMAPK1
Trifluoroacetic Acid SCHEMBL5630925 0.86 SMN1; SMN2 (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL5630928 0.86 SMN1; SMN2 (0.35) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL15100554 0.83 MEN1 (0.34) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL14980210 0.82 CYP1A2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL14442981 0.82 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMEN1KMT2AKDM4E

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
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed