SCHEMBL4593626

SCHEMBL4593626

Cc1csc2ncnc(Nc3ccccc3N3CC(C)N(C(=O)O)C(C)C3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
RAB9A P51151 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NOD2 Q9HC29 1/20 0.43
PIP4K2C Q8TBX8 1/20 0.41
FLT3 P36888 3/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CSNK2A1 P68400 6/20 0.38
CSNK2A2 P19784 4/20 0.38
CSNK2B P67870 4/20 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
SCHEMBL3801125 0.88 PIP4K2C (0.38) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3798041 0.83 LMNA (0.44) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3802402 0.80 LMNA (0.47) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3798486 0.79 LMNA (0.47) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3799687 0.72 PIP4K2C (0.52) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3798672 0.71 NPC1 (0.41) LMNARAB9APIP4K2CFLT3CDK2
SCHEMBL3802570 0.70 PIP4K2C (0.53) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3810827 0.70 HTT (0.51) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3799470 0.70 PIP4K2C (0.52) LMNARAB9ARXFP1NOD2PIP4K2C
SCHEMBL3797949 0.70 MRGPRX1 (0.50) LMNARAB9ARXFP1NOD2PIP4K2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO claimed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO claimed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed