SCHEMBL29945802

SCHEMBL29945802

COc1cc2c(N)nnc(C(F)(F)F)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
SMARCA2 P51531 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SOS1 Q07889 2/20 0.35
PDE10A Q9Y233 1/20 0.35
PDE5A O76074 1/20 0.35
MITF O75030 1/20 0.35
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KIT P10721 1/20 0.34
RAD52 P43351 1/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL23526090 0.79 PDE5A (0.38) PDE3BPDE3AGAALMNAKMT2A
SCHEMBL29945835 0.79 PDE5A (0.38) PDE3BPDE3AGAALMNAKMT2A
SCHEMBL4767274 0.79 ABCC8 (0.48) KMT2AKDM4EMAPTABCC8KCNJ11
SCHEMBL30493129 0.74 KDM4E (0.42) PDE3AGAALMNAGLAPOLB
SCHEMBL30014008 0.71 ALDH1A1 (0.50) PDE3BPDE3AGAAKDM4ESOS1
SCHEMBL29945961 0.70 POLB (0.37) PDE3BPDE3AGAALMNAGLA
SCHEMBL30493112 0.70 SMN1; SMN2 (0.45) GAALMNAGLAPOLBSMARCA2
SCHEMBL16235200 0.69 KDM4E (0.37) LMNAKMT2AKDM4EPDE10AMITF
SCHEMBL30014143 0.68 KDM4E (0.62) GAALMNAPOLBKDM4EMAPT
SCHEMBL23525876 0.67 PDE3A (0.46) PDE3BPDE3AKDM4EPDE10AMITF

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
CN-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed