SCHEMBL27782822

SCHEMBL27782822

Cc1cc(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)N=[N+]=[N-])cc4)cc23)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
AXL P30530 5/20 0.41
PAK1 Q13153 7/20 0.40
CAMKK2 Q96RR4 3/20 0.39
SGK1 O00141 3/20 0.39
BRD4 O60885 2/20 0.39
PKN1 Q16512 1/20 0.38
MAP3K11 Q16584 2/20 0.37

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
SCHEMBL27782909 0.91 AAK1 (0.44) AAK1AXLPAK1BRD4PKN1
SCHEMBL27804369 0.86 AAK1 (0.42) AAK1AXLPAK1CAMKK2SGK1
SCHEMBL858775 0.85 MAP3K11 (0.49) AAK1AXLPAK1CAMKK2SGK1
SCHEMBL14620851 0.83 AXL (0.60) AAK1AXLPAK1CAMKK2SGK1
SCHEMBL1362857 0.78 AXL (0.62) AAK1AXLPAK1BRD4PKN1
SCHEMBL857104 0.78 AXL (0.56) AAK1AXLPAK1CAMKK2BRD4
SCHEMBL858644 0.78 BRD4 (0.51) AAK1AXLPAK1BRD4
SCHEMBL27782820 0.77 AAK1 (0.44) AAK1AXLPAK1CAMKK2BRD4
SCHEMBL859097 0.77 KIT (0.52) AAK1AXLPAK1PKN1
SCHEMBL27804440 0.76 AAK1 (0.43) AAK1AXLPAK1CAMKK2SGK1

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
CN-1925855-B Compounds and methods for development of Ret modulators PLEXXIKON INC 2010-06-16 CN claimed