SCHEMBL31599862

SCHEMBL31599862

Cc1cc2nnnn2cc1N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
UHRF1 Q96T88 1/20 0.32
TERT O14746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL31600670 0.98 CYP3A4 (0.32) CYP3A4TSHRMAPK1UHRF1TERT
SCHEMBL31600503 0.81 PDE10A (0.32)
SCHEMBL17286614 0.74 ALDH1A1 (0.34) TSHRALDH1A1TDP1
SCHEMBL8066684 0.72 GABRP (0.38) KDM4EALDH1A1
SCHEMBL20299388 0.69 TERT (0.35) CYP3A4TSHRMAPK1UHRF1TERT
SCHEMBL20299531 0.69 DYRK1A (0.44) CYP3A4UHRF1
SCHEMBL30888293 0.69 KDM4E (0.40) CYP3A4TSHRMAPK1UHRF1TERT
SCHEMBL29361683 0.67 PIM1 (0.42) CYP3A4TSHRMAPK1UHRF1TERT
SCHEMBL23465715 0.65 MAPK1 (0.38) CYP3A4TSHRMAPK1UHRF1TERT
SCHEMBL31600402 0.65 ESR2 (0.37) TSHRMAPK1KDM4EMAPTALDH1A1

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
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed