SCHEMBL29134848

SCHEMBL29134848

CC1CCN1c1nc2c(c(-c3cc[nH]n3)n1)CCC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.34
INSR P06213 1/20 0.34
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAP3K12 Q12852 1/20 0.30
JAK3 P52333 1/20 0.30
KHK P50053 1/20 0.30

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
SCHEMBL24698052 1.00 IGF1R (0.34) IGF1RINSRHTR2CMEN1KMT2A
SCHEMBL24698050 0.81 IGF1R (0.41) IGF1RINSRHTR2CKDM4EALDH1A1
SCHEMBL24699352 0.80 BMPR1A (0.35) IGF1RINSRMEN1KMT2AKDM4E
SCHEMBL24698700 0.79 MTOR (0.38) KDM4E
SCHEMBL30017019 0.79 MTOR (0.38) KDM4E
SCHEMBL24699001 0.78 MTOR (0.36) IGF1RINSRMEN1KMT2AMAP3K12
SCHEMBL24698849 0.78 KHK (0.39) HTR2CMEN1KMT2AKHK
SCHEMBL24699075 0.78 KCNH2 (0.36) MEN1KMT2AALDH1A1MAP3K12
SCHEMBL24697573 0.78 P2RX7 (0.34) MEN1KMT2AMAP3K12
SCHEMBL24699489 0.78 GSK3B (0.35) ALDH1A1

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-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed