SCHEMBL21593035

SCHEMBL21593035

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4c3)cc2NC2CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.55
TNIK Q9UKE5 2/20 0.54
MAP3K11 Q16584 4/20 0.49
WDR5 P61964 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 2/20 0.45
HIF1A Q16665 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
IGF1R P08069 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
IL2 P60568 3/20 0.44
SGK1 O00141 1/20 0.44

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
SCHEMBL21592670 0.90 MAP4K1 (0.59) MAP4K1TNIKMAP3K11WDR5KMT2A
SCHEMBL21592596 0.89 MAP4K1 (0.57) MAP4K1TNIKMAP3K11WDR5KMT2A
SCHEMBL21592816 0.88 TNIK (0.57) MAP4K1TNIKMAP3K11WDR5KMT2A
SCHEMBL21592840 0.88 MAP4K1 (0.56) MAP4K1TNIKMAP3K11WDR5KMT2A
SCHEMBL21592887 0.87 MAP4K1 (0.57) MAP4K1TNIKMAP3K11CYP3A4HIF1A
SCHEMBL21592563 0.87 MAP4K1 (0.60) MAP4K1TNIKMAP3K11WDR5KMT2A
SCHEMBL21592894 0.87 MAP4K1 (0.60) MAP4K1TNIKMAP3K11WDR5KMT2A
SCHEMBL21592647 0.87 MAP4K1 (0.62) MAP4K1TNIKMAP3K11CYP3A4HIF1A
SCHEMBL21592696 0.86 TNIK (0.55) MAP4K1TNIKMAP3K11WDR5KMT2A
SCHEMBL21592978 0.86 MAP4K1 (0.59) MAP4K1TNIKMAP3K11WDR5KMT2A

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed