SCHEMBL2883034

SCHEMBL2883034

CC(C)Cn1cncc2c(-c3ccc(Cl)cc3)nnc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.37
KCNH2 Q12809 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GPR55 Q9Y2T6 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HSD11B1 P28845 1/20 0.33
DYRK1A Q13627 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
IDO1 P14902 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL3298816 0.77 LCK (0.36) CYP1A2CYP2C9CYP2C19KDM4EGPR55
SCHEMBL10147161 0.68 CYP19A1 (0.42) KCNH2CYP11B1CYP11B2DYRK1A
SCHEMBL10013033 0.63 ALDH1A1 (0.38) KDM4EHSD11B1KMT2ALMNAHTT
SCHEMBL996357 0.63 CACNA1B (0.46) CACNA1BKCNH2CYP1A2
SCHEMBL10989241 0.61 IDO1 (0.45) KCNH2CYP11B1CYP11B2DYRK1AIDO1
SCHEMBL13059068 0.60 POLB (0.35) KCNH2CYP11B1CYP11B2DYRK1A
SCHEMBL1948994 0.60 CYP11B1 (0.60) KCNH2CYP11B1CYP11B2DYRK1ALMNA
SCHEMBL11385165 0.60 RAB9A (0.47) CYP1A2CYP2C9CYP2C19KDM4EHSD11B1
SCHEMBL25212373 0.60 POLB (0.37) KCNH2DYRK1A
SCHEMBL21558234 0.60 POLB (0.37) KCNH2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010521468-A 2010-06-24 JP claimed
EP-2134854-A1 TREATMENT METHOD USING EGFR ANTIBODIES AND SRC INHIBITORS AND RELATED FORMULATIONS LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2009-12-23 EP claimed
WO-2008115404-A1 TREATMENT METHOD USING EGFR ANTIBODIES AND SRC INHIBITORS AND RELATED FORMULATIONS LUDWING INSTITUTE FOR CANCER RESEARCH (US) 2008-09-25 WO claimed