SCHEMBL8080229

SCHEMBL8080229

CCCCOc1nc(N)nc(N)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51
CCNA2 P20248 3/20 0.51
CDK2 P24941 3/20 0.51
CCNA1 P78396 3/20 0.51
PIN1 Q13526 1/20 0.51
PKM P14618 1/20 0.42
DHFR P00374 4/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
PRKCD Q05655 1/20 0.40
PAK1 Q13153 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
NOS1 P29475 1/20 0.40
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11699945 0.82 CDK1 (0.54) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29308078 0.81 CDK1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL2056438 0.76 CCNA2 (0.67) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL19686248 0.74 CDK1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16516258 0.72 LTA4H (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL20421683 0.71 TLR8 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6398172 0.71 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11700870 0.71 CDK1 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
Water SCHEMBL13518273 0.70 CDK1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL808604 0.70 CDK1 (0.47) CDK1CCNB1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522964-B1 Compositions to arrest hair loss and to induce and stimulate hair growth based on 2,4-diamino-pyrimidin-3-oxide derivatives OREAL (FR) 2000-10-04 EP disclosed
US-5466694-A Hair growth regulators L'OREAL (FR) 1995-11-14 US disclosed
EP-0522964-A1 Compositions to arrest hair loss and to induce and stimulate hair growth based on 2,4-diamino-pyrimidin-3-oxide derivatives L'OREAL (FR) 1993-01-13 EP disclosed