SCHEMBL6603334

SCHEMBL6603334

Cc1cc(N2CCCC2C(C)C)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HRH3 Q9Y5N1 5/20 0.47
HRH4 Q9H3N8 6/20 0.46
NR1I2 O75469 2/20 0.43
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
PBRM1 Q86U86 2/20 0.43
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.42
TSHR P16473 1/20 0.41
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
ROCK1 Q13464 1/20 0.38
AURKB Q96GD4 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3718749 0.84 MAPT (0.48) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL17979799 0.82 NUDT1 (0.56) HRH3HRH4NR1I2SMARCA2SMARCA4
SCHEMBL5791956 0.81 CRHBP (0.55) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL2450233 0.81 CRHBP (0.57) CRHBPCRHR2SMN1; SMN2HRH3HRH4
Formic Acid SCHEMBL17979810 0.76 NUDT1 (0.49) HRH3HRH4NR1I2SMARCA2SMARCA4
SCHEMBL5790289 0.76 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL2451697 0.76 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21491406 0.74 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21491405 0.74 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21491459 0.74 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4

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-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 EP claimed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 EP disclosed