SCHEMBL24699352

SCHEMBL24699352

C[C@H]1CCN1c1nc2c(c(-c3ccn(C)n3)n1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMPR1A P36894 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
LRRK2 Q5S007 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 1/20 0.31
PDE10A Q9Y233 1/20 0.31
IGF1R P08069 2/20 0.30
KHK P50053 1/20 0.30
INSR P06213 1/20 0.30
JMJD6 Q6NYC1 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
SCHEMBL24698062 0.82 KHK (0.39) MEN1KMT2AALDH1A1P2RX7PDE10A
SCHEMBL24699355 0.82 KDM4E (0.42) KDM4EALDH1A1IGF1R
SCHEMBL29134848 0.80 IGF1R (0.34) MEN1KMT2AKDM4EALDH1A1IGF1R
SCHEMBL30017019 0.80 MTOR (0.38) KDM4E
SCHEMBL24698052 0.80 IGF1R (0.34) MEN1KMT2AKDM4EALDH1A1IGF1R
SCHEMBL24698053 0.80 PIK3CD (0.38) BMPR1AACVRL1ACVR1P2RX7KHK
SCHEMBL24698700 0.80 MTOR (0.38) KDM4E
SCHEMBL24699489 0.79 GSK3B (0.35) ALDH1A1
SCHEMBL24698803 0.79 KDM4E (0.34) MEN1KMT2AKDM4EALDH1A1
SCHEMBL24699075 0.79 KCNH2 (0.36) MEN1KMT2AALDH1A1P2RX7

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
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed