SCHEMBL4735463

SCHEMBL4735463

CCc1nc(N)c2ncn(CC(=O)O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
EGFR P00533 1/20 0.43
CYP2C19 P33261 1/20 0.43
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
LMNA P02545 1/20 0.41
ADORA1 P30542 4/20 0.40
ADORA2A P29274 3/20 0.40
TMIGD3 P0DMS9 2/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30052313 0.82 CDK1 (0.62) CDK1CCNB1CCNE1CDK2EGFR
SCHEMBL1672138 0.82 CDK1 (0.62) CDK1CCNB1CCNE1CDK2EGFR
SCHEMBL5049212 0.81 CDK1 (0.60) CDK1CCNB1CCNE1CDK2EGFR
SCHEMBL23885478 0.80 CDK1 (0.44) CDK1CCNB1CCNE1CDK2EGFR
SCHEMBL30052639 0.80 CDK1 (0.44) CDK1CCNB1CCNE1CDK2EGFR
SCHEMBL26628550 0.77 PDE4A (0.63) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL448173 0.75 ADORA2A (0.40) EGFRCSNK2A2CSNK2A1ADORA1ADORA2A
SCHEMBL28685162 0.75 ADORA2A (0.49) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL1673251 0.75 EGFR (0.70) EGFRADORA1ADORA2API4KAPI4K2B
SCHEMBL12417532 0.74 CDK1 (0.60) CDK1CCNB1CCNE1CDK2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238003-B2 Extended or continuous wear silicone hydrogel contact lenses for the extended release of comfort molecules AUBURN UNIVERSITY (US) 2016-01-19 US disclosed
US-20130195952-A1 EXTENDED OR CONTINUOUS WEAR SILICONE HYDROGEL CONTACT LENSES FOR THE EXTENDED RELEASE OF COMFORT MOLECULES AUBURN UNIVERSITY (US) 2013-08-01 US disclosed
US-8388995-B1 Controlled and extended delivery of hyaluronic acid and comfort molecules via a contact lens platform AUBURN UNIVERSITY (US) 2013-03-05 US disclosed
US-8349352-B2 for delivering a drug through contact with an eye; treatment of large animals, such as horses AUBURN UNIVERSITY (US) 2013-01-08 US disclosed
US-20080124378-A1 Therapeutic contact lenses with anti-fungal delivery AUBURN UNIVERSITY 2008-05-29 US disclosed
WO-2008060574-A2 THERAPEUTIC CONTACT LENSES WITH ANTI-FUNGAL DELIVERY AUBURN UNIVERSITY (US) 2008-05-22 WO disclosed