SCHEMBL20217434

SCHEMBL20217434

N=C(c1ccc(N2C3CCCC2CC3)cc1)c1cc(C(=O)NCc2ccccn2)c(F)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN11 Q06124 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HPGD P15428 4/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 4/20 0.39
EED O75530 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CA2 P00918 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 1/20 0.38
MAPK1 P28482 1/20 0.38
SORT1 Q99523 1/20 0.37

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
SCHEMBL20217630 0.80 RAB9A (0.45) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL20217804 0.80 RAB9A (0.43) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL20217623 0.77 HPGD (0.45) RAB9AHPGDNPC1LMNANAMPT
SCHEMBL20217341 0.70 CYP3A4 (0.40) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL20217432 0.70 KMT2A (0.47) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL20217777 0.70 KMT2A (0.49) RAB9ASMN1; SMN2KMT2APTPN11NPC1
SCHEMBL20217644 0.70 KMT2A (0.45) RAB9ASMN1; SMN2MEN1KMT2APTPN11
SCHEMBL20217401 0.70 KDM4E (0.44) RAB9ASMN1; SMN2MEN1KMT2APTPN11
SCHEMBL20217423 0.69 KDM4E (0.40) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL20217816 0.68 RAB9A (0.44) RAB9AMEN1KMT2ANPC1ALDH1A1

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
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed