SCHEMBL30671844

SCHEMBL30671844

C=C(C(N)=O)c1ccc2c(-c3nc(Nc4ccc(N5CCOCC5)cc4)ncc3F)cn(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.54
▸ CDK2 P24941 4/20 0.50
▸ CCNA2 P20248 2/20 0.50
▸ SYK P43405 2/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ STAT6 P42226 10/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ MNAT1 P51948 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ JAK3 P52333 2/20 0.46

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
SCHEMBL27240830 0.87 BTK (0.58) JAK2SYKFLT3BTKJAK3
SCHEMBL27240981 0.86 SYK (0.56) JAK2CDK2CCNA2SYKCCNA1
SCHEMBL29113540 0.86 FLT3 (0.58) JAK2CDK2FLT3CDK6JAK3
SCHEMBL29113555 0.85 JAK2 (0.52) JAK2CDK2CCNA2SYKCCNA1
SCHEMBL26980139 0.83 JAK2 (0.51) JAK2CDK2CCNA2SYKCCNA1
SCHEMBL29113558 0.82 PTK2 (0.45) —
SCHEMBL30671851 0.79 JAK2 (0.49) JAK2CDK2SYKSTAT6KCNH2
SCHEMBL29113559 0.79 JAK2 (0.49) JAK2CDK2SYKSTAT6KCNH2
SCHEMBL29929747 0.78 BTK (0.58) JAK2FLT3BTKJAK3JAK1
SCHEMBL26980176 0.78 BTK (0.58) JAK2FLT3BTKJAK3JAK1

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-117136184-A Aminopyrimidine compounds and methods of use thereof 泰拉生物科学公司 2023-11-28 — — CN disclosed
Send feedback