SCHEMBL6999470

SCHEMBL6999470

COc1ccc2c(c1)-c1nc(Nc3ccc(N4CCN(C)CC4)nc3)ncc1CC2(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.60
FGFR1 P11362 2/20 0.49
IGF1R P08069 1/20 0.47
KDR P35968 5/20 0.46
PLK1 P53350 5/20 0.46
BRD4 O60885 3/20 0.44
ZAP70 P43403 1/20 0.44
CDK2 P24941 4/20 0.42
AURKA O14965 3/20 0.42
IKBKB O14920 1/20 0.42
CCNA2 P20248 3/20 0.42
CDK4 P11802 2/20 0.42
CCNA1 P78396 2/20 0.42
GAK O14976 1/20 0.42
BUB1 O43683 1/20 0.42
CCNT1 O60563 1/20 0.42
ULK1 O75385 1/20 0.42
STK16 O75716 1/20 0.42
PRKD3 O94806 1/20 0.42
LATS1 O95835 1/20 0.42

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
SCHEMBL6991975 0.89 FYN (0.62) FYNFGFR1IGF1RKDRPLK1
Hydrochloric Acid SCHEMBL6997490 0.84 FYN (0.59) FYNKDRPLK1BRD4CDK2
SCHEMBL7232580 0.81 KDR (0.63) FYNIGF1RKDRPLK1AURKA
SCHEMBL7231388 0.81 FYN (0.61) FYNIGF1RKDRPLK1CDK2
SCHEMBL7241122 0.80 FYN (0.65) FYNFGFR1IGF1RKDRPLK1
SCHEMBL7235943 0.79 FYN (0.56) FYNIGF1RKDRPLK1ZAP70
SCHEMBL7235872 0.78 FYN (0.59) FYNIGF1RKDRPLK1IKBKB
SCHEMBL7233573 0.78 FYN (0.57) FYNIGF1RKDRPLK1CDK2
Hydrochloric Acid SCHEMBL6998665 0.78 FYN (0.59) FYNIGF1RKDRPLK1BRD4
Hydrochloric Acid SCHEMBL7232574 0.78 PLK1 (0.64) FYNIGF1RKDRPLK1IKBKB

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-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed