SCHEMBL29957150

SCHEMBL29957150

O=Cc1ccnc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
PRKCI P41743 4/20 0.53
AXL P30530 1/20 0.53
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
IKBKB O14920 4/20 0.47
CHUK O15111 4/20 0.47
AURKB Q96GD4 2/20 0.47
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47

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
SCHEMBL634449 1.00 KMT2A (0.56) KMT2APRKCIAXLCCR1CCR5
SCHEMBL859116 0.79 NUDT1 (0.58) KMT2APRKCIIKBKBCHUKAURKB
SCHEMBL2878947 0.76 PARP1 (0.52) KMT2APRKCIAXLIKBKBCHUK
SCHEMBL2878942 0.76 PARP1 (0.52) KMT2APRKCIAXLIKBKBCHUK
SCHEMBL857030 0.75 IKBKB (0.47) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL15068357 0.74 NUDT1 (0.40) KMT2APRKCIAXLCCR1CCR5
SCHEMBL1135006 0.74 PRKCI (0.59) KMT2APRKCIAXLIKBKBCHUK
SCHEMBL29817501 0.74 PRKCI (0.59) KMT2APRKCIAXLIKBKBCHUK
SCHEMBL29605623 0.74 NUDT1 (0.61) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL21062776 0.74 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684287-A 4- (3- (Piperidin-4-yl) -1H-pyrazol-5-yl) -1H-pyrrole [2,3-b ] pyridine derivative, and preparation method and application thereof 烟台新药创制山东省实验室 2025-03-25 CN claimed
CN-120058674-A 4 (1H-pyrazol-3-yl) piperidinyl derivative, preparation method thereof and application thereof in preparation of MNK inhibitor 烟台新药创制山东省实验室 2025-05-30 CN disclosed
CN-119684287-A 4- (3- (Piperidin-4-yl) -1H-pyrazol-5-yl) -1H-pyrrole [2,3-b ] pyridine derivative, and preparation method and application thereof 烟台新药创制山东省实验室 2025-03-25 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed