SCHEMBL3359876

SCHEMBL3359876

CN(C)CCOc1ccc(-c2ccc(N(C(N)=O)c3ccccc3)cc2)c2c(N)n[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.61
FLT3 P36888 9/20 0.61
KIT P10721 7/20 0.61
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PDGFRB P09619 4/20 0.43
CSF1R P07333 2/20 0.43
PDGFRA P16234 2/20 0.43
CDK8 P49336 2/20 0.43
NTRK3 Q16288 2/20 0.43
AURKB Q96GD4 2/20 0.43
RET P07949 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42
NTRK2 Q16620 1/20 0.42
ALK Q9UM73 1/20 0.42
HTR7 P34969 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL3360963 0.91 KDR (0.59) KDRFLT3KITKDM4EPDGFRB
SCHEMBL27657310 0.90 KDR (0.59) KDRFLT3KITPDGFRBCSF1R
SCHEMBL3396670 0.87 KDR (0.49) KDRFLT3KITPDGFRBCSF1R
SCHEMBL419414 0.83 KDR (0.84) KDRFLT3KITPDGFRBCSF1R
SCHEMBL3399472 0.83 KDR (0.60) KDRFLT3KITPDGFRBCSF1R
SCHEMBL418941 0.82 KDR (0.62) KDRFLT3KITALDH1A1KDM4E
SCHEMBL27657317 0.81 KDR (0.57) KDRFLT3KITPDGFRBCSF1R
SCHEMBL13372721 0.81 KDR (0.57) KDRFLT3KITPDGFRBCSF1R
SCHEMBL27657309 0.81 KDR (0.57) KDRFLT3KITPDGFRBCSF1R
SCHEMBL27636457 0.80 KDR (0.57) KDRFLT3KITPDGFRBCSF1R

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
EP-1638941-B1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LAB (US) 2010-06-02 EP claimed