SCHEMBL4036206

SCHEMBL4036206

O=C(Nc1cccnc1Cl)c1c[nH]cn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
NPC1 O15118 6/20 0.62
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
POLB P06746 3/20 0.55
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX12 P18054 1/20 0.50

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
SCHEMBL7231461 0.78 SMN1; SMN2 (0.56) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL9867050 0.77 RAB9A (1.00) RAB9ANPC1MAPTTP53RXFP1
SCHEMBL6003795 0.77 RAB9A (0.58) RAB9ANPC1MAPTTP53RXFP1
SCHEMBL8299753 0.76 TDP1 (0.68) RAB9ANPC1MAPTRXFP1POLB
SCHEMBL30117873 0.75 RAB9A (0.79) RAB9ANPC1MAPTPOLBHTT
SCHEMBL3096372 0.75 RAB9A (0.79) RAB9ANPC1MAPTPOLBHTT
SCHEMBL15503805 0.74 RAB9A (0.56) RAB9ANPC1MAPTTP53RXFP1
SCHEMBL1721544 0.74 SMN1; SMN2 (0.65) RAB9ANPC1MAPTRXFP1POLB
SCHEMBL1520680 0.74 RAB9A (0.77) RAB9ANPC1MAPTTP53POLB
SCHEMBL19243033 0.73 CYP11B2 (0.58) RAB9ANPC1TP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed
EP-1066286-A4 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP disclosed
EP-1066286-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-10 EP disclosed
US-5990109-A NOVEL COMPOUNDS, METHODS OF THEIR SYNTHESIS, AND THEIR USE IN TREATING VARIOUS TYROSINE KINASE-ASSOCIATED IMMUNOLOGICAL DISORDERS, SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GRAFT VS. HOST DISEASE, LUPUS, PSORIASIS AND ASTHMA BRISTOL-MYERS SQUIBB CO. (US) 1999-11-23 US disclosed
WO-1999045009-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-10 WO disclosed