SCHEMBL5031657

SCHEMBL5031657

NC(=O)Nc1ccc(F)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.50
NR3C2 P08235 4/20 0.49
KDM4E B2RXH2 1/20 0.49
FFAR2 O15552 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 4/20 0.47
JAK2 O60674 2/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
STAT3 P40763 1/20 0.46
JAK3 P52333 1/20 0.46
CXCR2 P25025 1/20 0.44

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
SCHEMBL15348810 0.82 KDM4E (0.54) KDM4EFFAR2RAB9ASMN1; SMN2NPC1
SCHEMBL9413742 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL14037407 0.82 NR3C2 (0.55) ALDH1A1MAPK1NR3C2KDM4ERAB9A
SCHEMBL23565515 0.81 RAB9A (0.53) KDM4EFFAR2RAB9ASMN1; SMN2NPC1
Acetamide SCHEMBL28546989 0.81 KDM4E (0.47) KDM4EFFAR2RAB9ASMN1; SMN2NPC1
SCHEMBL31741287 0.81 PTK2 (0.62) KDM4EFFAR2RAB9ASMN1; SMN2NPC1
SCHEMBL1430301 0.81 PTK2 (0.62) KDM4EFFAR2RAB9ASMN1; SMN2NPC1
SCHEMBL30804829 0.81 KDM4E (0.41) KDM4EFFAR2RAB9ASMN1; SMN2NPC1
SCHEMBL29557328 0.81 GRM5 (0.43) KDM4EFFAR2RAB9ASMN1; SMN2NPC1
SCHEMBL28550716 0.80 TDP1 (0.47) ALDH1A1KDM4EFFAR2RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP claimed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
EP-1373261-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-01-02 EP claimed
WO-2002070516-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2002-09-12 WO claimed