SCHEMBL31079999

SCHEMBL31079999

COC(=O)c1cc(Oc2nc(Br)cc3ncn(C(C)C)c23)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.40
ABL1 P00519 9/20 0.40
P2RX3 P56373 1/20 0.36
KDR P35968 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP3K5 Q99683 1/20 0.33
ESR2 Q92731 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL31079882 1.00 MAP4K1 (0.40) MAP4K1ABL1P2RX3KDRCYP1A2
SCHEMBL23243575 1.00 MAP4K1 (0.40) MAP4K1ABL1P2RX3KDRCYP1A2
SCHEMBL31079768 0.83 MAP4K1 (0.46) MAP4K1ABL1P2RX3KDRCYP1A2
SCHEMBL31079766 0.83 MAP4K1 (0.46) MAP4K1ABL1P2RX3KDRCYP1A2
SCHEMBL23243241 0.83 MAP4K1 (0.46) MAP4K1ABL1P2RX3KDRCYP1A2
SCHEMBL28603741 0.80 MAP4K1 (0.36) MAP4K1ABL1
SCHEMBL25201920 0.76 ABL1 (0.35) ABL1KDRCYP1A2CYP2C9CYP2C19
SCHEMBL23243506 0.72 MAP4K1 (0.46) MAP4K1ABL1
SCHEMBL31079881 0.72 MAP4K1 (0.46) MAP4K1ABL1
SCHEMBL23243431 0.72 MAP4K1 (0.56) MAP4K1

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-113227089-B Substituted 6-azabenzimidazole compounds as HPK1 inhibitors 吉利德科学公司 2024-07-05 CN disclosed