SCHEMBL13354550

SCHEMBL13354550

Bc1c(-c2ccccc2)oc2ncnc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.50
EGFR P00533 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKA O14965 8/20 0.42
CHEK1 O14757 3/20 0.42
MAP2K1 Q02750 1/20 0.42
KDM4E B2RXH2 1/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SRC P12931 1/20 0.38
RAD52 P43351 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
SCHEMBL735560 0.83 TNK2 (0.68) TNK2EGFRALDH1A1HPGDTSHR
SCHEMBL759173 0.81 EGFR (0.52) TNK2EGFRALDH1A1HPGDTSHR
SCHEMBL1787179 0.76 TNK2 (0.58) TNK2EGFRALDH1A1HPGDTSHR
SCHEMBL2977130 0.76 TNK2 (0.58) TNK2EGFRALDH1A1HPGDTSHR
SCHEMBL6848486 0.76 TNK2 (0.58) TNK2EGFRALDH1A1HPGDTSHR
SCHEMBL2975999 0.73 KDM4E (0.74) TNK2ALDH1A1HPGDAURKACHEK1
SCHEMBL1785983 0.73 TNK2 (0.54) TNK2EGFRALDH1A1HPGDTSHR
SCHEMBL1785974 0.73 KDM4E (0.74) TNK2ALDH1A1HPGDAURKACHEK1
SCHEMBL13361104 0.72 TNK2 (0.70) TNK2EGFRALDH1A1HPGDTSHR
SCHEMBL2975737 0.72 TNK2 (0.47) TNK2EGFRALDH1A1HPGDTSHR

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
WO-2010054285-A2 FUSED BICYCLIC AND TRICYCLIC PYRIMIDINE COMPOUNDS AS TYROSINE KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-14 WO disclosed