SCHEMBL2883036

SCHEMBL2883036

CC(C)Cn1c(-c2ccc(Cl)cc2)ncc2cnnc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
PPARD Q03181 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL10013033 0.74 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EAPOBEC3G
SCHEMBL3298820 0.72 KMT2A (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1738350 0.62 CACNA1B (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1736853 0.61 CACNA1B (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL15815148 0.61 MAPK1 (0.42) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5335279 0.61 HPGD (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL13364852 0.60 NR1H4 (0.47) MEN1KMT2AMAPK1HSD17B10NPC1
SCHEMBL8989228 0.60 MAP4K4 (0.53) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL8763523 0.60 HSD11B1 (0.45) ALDH1A1KMT2AKDM4EHPGDTSHR
SCHEMBL2883034 0.59 CACNA1B (0.37) KMT2ACYP1A2CYP2C9CYP2C19KDM4E

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