SCHEMBL31339741

SCHEMBL31339741

C[C@@H]1CN(c2c(N)ccc3c2cnn3C)C[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.35
EIF2AK4 Q9P2K8 1/20 0.34
PDE2A O00408 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM1A O60341 1/20 0.33
AURKA O14965 4/20 0.33
PDPK1 O15530 4/20 0.33
AURKB Q96GD4 4/20 0.33
RET P07949 3/20 0.32
CCR1 P32246 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
JAK3 P52333 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
BTK Q06187 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
SCHEMBL30447567 1.00 MAP4K4 (0.35) MAP4K4EIF2AK4PDE2ASCN9AKDM1A
SCHEMBL30447801 0.89 JAK1 (0.36) MAP4K4EIF2AK4KDM1AAURKAPDPK1
SCHEMBL31339782 0.89 JAK1 (0.36) MAP4K4EIF2AK4KDM1AAURKAPDPK1
SCHEMBL30447302 0.86 ATM (0.33) MAP4K4EIF2AK4RETHDAC1HDAC3
SCHEMBL25430094 0.85 DRD2 (0.34) EIF2AK4PDE2AKDM1ARETCKS1B
SCHEMBL25342939 0.78 MAP4K4 (0.38) MAP4K4EIF2AK4KDM1AAURKAPDPK1
SCHEMBL30447631 0.78 MAP4K4 (0.38) MAP4K4EIF2AK4KDM1AAURKAPDPK1
SCHEMBL25429189 0.74 P2RX3 (0.34) HDAC1HDAC3HDAC2
SCHEMBL25431643 0.74 NTRK1 (0.43) SCN9ALCK
SCHEMBL25429763 0.74 JAK1 (0.34) EIF2AK4KDM1AAURKBRETCKS1B

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-119365192-A Heteroaryl compounds as HPK1 inhibitors and methods of use thereof 深圳市原力深湾创新药有限公司 2025-01-24 CN disclosed