SCHEMBL4039587

SCHEMBL4039587

O=c1[nH]c2nc(Cl)ncc2n2cncc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GABRA5 P31644 2/20 0.33
LCK P06239 5/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32
GSK3B P49841 1/20 0.32
PRKDC P78527 1/20 0.32
RPS6KA5 O75582 1/20 0.31
DAO P14920 2/20 0.30

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
SCHEMBL4039516 0.78 DYRK1A (0.36) DYRK1BGABRA5LCK
SCHEMBL29893472 0.78 PARP1 (0.47) TYRO3DYRK1BCHEK1RPS6KA5
SCHEMBL4039665 0.71 DAO (0.47) GABRA5LCKDAO
SCHEMBL4038259 0.70 GRIA1 (0.38) GABRA5CHEK1CHEK2CDK1GSK3B
SCHEMBL29235248 0.70 AURKA (0.41) TYRO3DYRK1BGABRA5LCKCHEK1
SCHEMBL10006861 0.68 PDE3B (0.47) TYRO3DYRK1B
SCHEMBL29349996 0.68 PDE3B (0.47) TYRO3DYRK1B
SCHEMBL2468642 0.67 DAO (0.46) GABRA5DAO
SCHEMBL9035348 0.66 TYRO3 (0.72) TYRO3DYRK1BDAO
SCHEMBL4038168 0.66 CHEK1 (0.41) GABRA5LCKCHEK1CHEK2CDK1

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-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 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