SCHEMBL27587366

SCHEMBL27587366

Oc1ccc(CNc2ncnc3nc[nH]c23)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.67
CDK5 Q00535 2/20 0.67
AURKA O14965 1/20 0.67
DAPK3 O43293 1/20 0.67
JAK2 O60674 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
PAK4 O96013 1/20 0.67
ABL1 P00519 1/20 0.67
LCK P06239 1/20 0.67
CSF1R P07333 1/20 0.67
RET P07949 1/20 0.67
PDGFRB P09619 1/20 0.67
FGFR1 P11362 1/20 0.67
PRKACA P17612 1/20 0.67
FLT1 P17948 1/20 0.67
LTK P29376 1/20 0.67
GRK5 P34947 1/20 0.67
MAP2K2 P36507 1/20 0.67
MAPK8 P45983 1/20 0.67

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
SCHEMBL25273793 0.93 KDR (0.59) KDRCDK5AURKADAPK3JAK2
SCHEMBL4917316 0.89 KDR (0.71) KDRCDK5AURKADAPK3JAK2
SCHEMBL4923735 0.89 PRMT1 (0.66) KDRCDK5AURKADAPK3JAK2
SCHEMBL4922745 0.85 PRMT1 (0.69) KDRCDK5AURKADAPK3JAK2
SCHEMBL4912992 0.85 PRMT1 (0.62) KDRCDK5AURKADAPK3JAK2
SCHEMBL4922705 0.83 KDR (0.64) KDRCDK5AURKADAPK3JAK2
SCHEMBL4922342 0.83 LMNA (0.64) KDRCDK5AURKADAPK3JAK2
SCHEMBL4923989 0.83 KDR (0.67) KDRCDK5AURKADAPK3JAK2
SCHEMBL4913560 0.83 PRMT1 (0.69) KDRCDK5AURKADAPK3JAK2
SCHEMBL4924081 0.83 CDC7 (0.70) KDRCDK5AURKADAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 CN disclosed