SCHEMBL11057711

SCHEMBL11057711

CCc1cc(N)cc(Cl)c1-n1cnc(NC)nc1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
WEE1 P30291 1/20 0.31
ELANE P08246 2/20 0.31
PAK1 Q13153 1/20 0.31
SIK1 P57059 2/20 0.30
SIK2 Q9H0K1 2/20 0.30
SIK3 Q9Y2K2 2/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNB3 Q8WWL7 1/20 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
SCHEMBL11496851 0.93 SIK1 (0.30) SIK1SIK2SIK3
SCHEMBL11058852 0.91 ELANE (0.34) ELANE
SCHEMBL11053272 0.86 NOS3 (0.32) ELANE
SCHEMBL11053086 0.86 CHRNA7 (0.33) EGFRFGFR1SRCWEE1PAK1
SCHEMBL11060031 0.85 SIK1 (0.33) EGFRFGFR1SRCSIK1SIK2
SCHEMBL11052642 0.85 ESR1 (0.38) EGFRFGFR1SRCWEE1CCNB2
SCHEMBL11055980 0.85 ELANE (0.31) ELANESIK1SIK2SIK3
SCHEMBL11059409 0.85 ELANE (0.31) ELANESIK1SIK2SIK3
SCHEMBL11354153 0.83 EGFR (0.36) EGFRFGFR1SRCPAK1SIK1
SCHEMBL11058764 0.80 FGFR1 (0.41) EGFRFGFR1SRCPAK1SIK1

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
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed